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N-（4-溴苯基）-2-[(1-环己基甲基-1H-1,2,4-三唑-3-基)硫烷基]乙酰胺

N-(4-Bromo-phen-yl)-2-[(1-cyclo-hexyl-meth-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-acetamide.

作者信息

Wang Yue-Ping, Yan Wan-Lu, Guo Qiong, He Yan-Ping

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):o1495. doi: 10.1107/S1600536812015991. Epub 2012 Apr 21.

DOI:10.1107/S1600536812015991
PMID:22590366
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344604/
Abstract

The title compound, C(17)H(21)BrN(4)OS, was synthesized as a potential reverse transcriptase (RT) inhibitor of the human immunodeficiency virus type 1 (HIV-1). In the molecule, there is an N-H⋯S hydrogen bond making a five-membered ring. In the crystal, mol-ecules are connected into centrosymmetric dimers via pairs of N-H⋯N and weak C-H⋯N hydrogen bonds. The crystal structure also features C-H⋯O inter-actions.

摘要

标题化合物C(17)H(21)BrN(4)OS被合成为一种潜在的1型人类免疫缺陷病毒（HIV-1）逆转录酶（RT）抑制剂。在分子中，存在一个形成五元环的N-H⋯S氢键。在晶体中，分子通过N-H⋯N对和弱C-H⋯N氢键连接成中心对称二聚体。晶体结构还具有C-H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/66e6/3344604/05f1616766fc/e-68-o1495-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/66e6/3344604/fe7e78b21088/e-68-o1495-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/66e6/3344604/05f1616766fc/e-68-o1495-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/66e6/3344604/fe7e78b21088/e-68-o1495-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/66e6/3344604/05f1616766fc/e-68-o1495-fig2.jpg

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