• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

3-{[5-(4-氯苯基)-3-甲基-1H-吡唑-1-基]甲基}-4-间甲苯基-1H-1,2,4-三唑-5(4H)-硫酮

3-{[5-(4-Chloro-phen-yl)-3-methyl-1H-pyrazol-1-yl]meth-yl}-4-m-tolyl-1H-1,2,4-triazole-5(4H)-thione.

作者信息

Farrukh Muhammad A, Ahmed Maqsood, Mohamed Shaaban K, Marzouk Adel A, El-Moghazy Samir M

机构信息

Department of Chemistry, Government College University, Lahore 54000, Pakistan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 May 22;69(Pt 6):o936-7. doi: 10.1107/S1600536813013494. Print 2013 Jun 1.

DOI:10.1107/S1600536813013494
PMID:23795102
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3685083/
Abstract

In the title compound, C20H18ClN5S, the toluene and triazole rings are oriented almost perpendicular to each other, making a dihedral angle of 89.97 (9)°, whereas the dihedral angle between cholorophenyl and pyrazole rings is 54.57 (11)°. In the crystal, pairs of N-H⋯N hydrogen bonds link the mol-ecules into inversion dimers. Weaker C-H⋯S and C-H⋯Cl inter-actions are also present.

摘要

在标题化合物C₂₀H₁₈ClN₅S中，甲苯环和三唑环几乎相互垂直，二面角为89.97 (9)°，而氯苯基和吡唑环之间的二面角为54.57 (11)°。在晶体中，N-H⋯N氢键对将分子连接成反演二聚体。还存在较弱的C-H⋯S和C-H⋯Cl相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b153/3685083/f841e840e2c5/e-69-0o936-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b153/3685083/5de7248611f9/e-69-0o936-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b153/3685083/caf170c99c39/e-69-0o936-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b153/3685083/16e4336a43d1/e-69-0o936-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b153/3685083/f841e840e2c5/e-69-0o936-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b153/3685083/5de7248611f9/e-69-0o936-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b153/3685083/caf170c99c39/e-69-0o936-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b153/3685083/16e4336a43d1/e-69-0o936-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b153/3685083/f841e840e2c5/e-69-0o936-fig4.jpg

相似文献

1
3-{[5-(4-Chloro-phen-yl)-3-methyl-1H-pyrazol-1-yl]meth-yl}-4-m-tolyl-1H-1,2,4-triazole-5(4H)-thione.3-{[5-(4-氯苯基)-3-甲基-1H-吡唑-1-基]甲基}-4-间甲苯基-1H-1,2,4-三唑-5(4H)-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2013 May 22;69(Pt 6):o936-7. doi: 10.1107/S1600536813013494. Print 2013 Jun 1.
2
N-[2-({[1-(4-Chloro-phen-yl)-1H-pyrazol-3-yl]-oxy}meth-yl)phen-yl]-N-meth-oxy-hydrazinecarboxamide.N-[2-({[1-(4-氯苯基)-1H-吡唑-3-基]氧基}甲基)苯基]-N-甲氧基肼甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2916. doi: 10.1107/S1600536812038214. Epub 2012 Sep 12.
3
Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro-phen-yl)-1-isopropyl-1H-indol-2-yl]allyl-idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione.4-({(1E,2E)-3-[3-(4-氟苯基)-1-异丙基-1H-吲哚-2-基]亚烯丙基}氨基)-5-甲基-1H-1,2,4-三唑-5(4H)-硫酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Oct 31;71(Pt 11):1411-3. doi: 10.1107/S2056989015020101. eCollection 2015 Nov 1.
4
3-(2-Chloro-phen-yl)-4-(4-nitro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione.3-（2-氯苯基）-4-（4-硝基苯基）-1H-1,2,4-三唑-5（4H）-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1612. doi: 10.1107/S1600536811020459. Epub 2011 Jun 11.
5
4-{[(E)-(3-Phenyl-1H-pyrazol-4-yl)methyl-idene]amino}-1H-1,2,4-triazole-5(4H)-thione.4-{[(E)-(3-苯基-1H-吡唑-4-基)亚甲基]氨基}-1H-1,2,4-三唑-5(4H)-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o1944. doi: 10.1107/S1600536811024834. Epub 2011 Jul 9.
6
Crystal structure of 4-[(E)-(4-chloro-benzyl-idene)amino]-3-(2-methyl-benz-yl)-1H-1,2,4-triazole-5(4H)-thione.4-[(E)-(4-氯-亚苄基)氨基]-3-(2-甲基-苄基)-1H-1,2,4-三唑-5(4H)-硫酮的晶体结构
Acta Crystallogr Sect E Struct Rep Online. 2014 Aug 16;70(Pt 9):o1015-6. doi: 10.1107/S1600536814018352. eCollection 2014 Sep 1.
7
4-(4-Bromo-benzyl-ideneamino)-3-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1-(mor-phol-ino-meth-yl)-1H-1,2,4-triazole-5(4H)-thione.4-（4-溴-亚苄基氨基）-3-{1-[4-（2-甲基丙基）苯基]乙基}-1-（吗啉代甲基）-1H-1,2,4-三唑-5（4H）-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 23;64(Pt 8):o1570-1. doi: 10.1107/S160053680802254X.
8
4-{[(E)-(4-Chloro-phen-yl)methyl-idene]amino}-3-{2-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1H-1,2,4-triazole-5(4H)-thione.4-{[(E)-(4-氯苯基)亚甲基]氨基}-3-{2-[4-(2-甲基丙基)苯基]乙基}-1H-1,2,4-三唑-5(4H)-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2009 May 14;65(Pt 6):o1242-3. doi: 10.1107/S160053680901650X.
9
The crystal structures of three 3-methyl-1H-1,2,4-triazole-5-thio-nes, including a second polymorph of 4-[(E)-(5-bromo-2-hy-droxy-benzyl-idene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione and a redetermination of 4-amino-3-methyl-1H-1,2,4-triazole-5(4H)-thione.三种3-甲基-1H-1,2,4-三唑-5-硫酮的晶体结构，包括4-[(E)-(5-溴-2-羟基-亚苄基)氨基]-3-甲基-1H-1,2,4-三唑-5(4H)-硫酮的第二种多晶型物以及4-氨基-3-甲基-1H-1,2,4-三唑-5(4H)-硫酮的重新测定。
Acta Crystallogr E Crystallogr Commun. 2015 Aug 6;71(Pt 9):1003-9. doi: 10.1107/S205698901501422X. eCollection 2015 Sep 1.
10
4-Amino-3-(o-tolyl-oxymeth-yl)-1H-1,2,4-triazole-5(4H)-thione.4-氨基-3-（邻甲苯氧基甲基）-1H-1,2,4-三唑-5（4H）-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 18;65(Pt 8):o1910-1. doi: 10.1107/S1600536809027275.

本文引用的文献

1
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
2
Syntheses, crystal structures, and oxidative DNA cleavage of some Cu(II) complexes of 5-amino-3-pyridin-2-yl-1,2,4-triazole.5-氨基-3-吡啶-2-基-1,2,4-三唑的一些铜（II）配合物的合成、晶体结构及氧化DNA裂解
J Inorg Biochem. 2004 Aug;98(8):1436-46. doi: 10.1016/j.jinorgbio.2004.05.004.
3
Synthesis and pharmacological activity of triazolo[1,5-a]triazine derivatives inhibiting eosinophilia.
抑制嗜酸性粒细胞增多的三唑并[1,5-a]三嗪衍生物的合成及药理活性
J Med Chem. 1998 Jul 30;41(16):2985-93. doi: 10.1021/jm970759u.
4
Bioisosteric design of conformationally restricted pyridyltriazole histamine H2-receptor antagonists.构象受限的吡啶基三唑组胺H2受体拮抗剂的生物电子等排体设计
J Med Chem. 1983 Jan;26(1):1-6. doi: 10.1021/jm00355a001.