4-phenyl-5-(4-pyridinyl)-3-(benzoylmethyl)thio-4H-1,2,4-triazole

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-phenyl-5-(4-pyridinyl)-3-(benzoylmethyl)thio-4H-1,2,4-triazole
• 英文别名: 1-phenyl-2-[(4-phenyl-5-pyridin-4-yl-4H-1,2,4-triazol-3-yl)thio]ethanone；1-phenyl-2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone；1-phenyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
• 化学式: C₂₁H₁₆N₄OS
• mdl: MFCD01432157
• 分子量: 372.45
• InChiKey: GAXBCVHTYQLWPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  86
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-isonicotinoyl-4-phenylthiosemicarbazide 在 sodium hydroxide 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 12.0h， 生成 4-phenyl-5-(4-pyridinyl)-3-(benzoylmethyl)thio-4H-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and structure elucidation of some new thioether derivatives of 1,2,4-triazoline-3-thiones and their antimicrobial activities

  摘要：

  5-(4-Pyridinyl)-4-substituted-2,4-dihydro-3H-1,2,4-triazole-3-thiones and 5-(4-pyridinyl)-4-substituted-3-(benzoylmethyl)thio 4H-1,2,4-triazoles were synthesized. The structures of original nine compounds were confirmed by IR, H-1 NMR, mass spectral methods and elemental analysis. The antibacterial, antifungal and antimycobacterial activities, together with those of known intermediate 1,4-disubstituted thiosemicarbazides, were reported. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01167-3

文献信息

• Novel anthelmintic and insecticidal compositions
  申请人：——

  公开号：US20040171650A1

  公开（公告）日：2004-09-02

  The present invention relates to novel anthelmintic and insecticidal compositions in general, and, more specifically, compositions containing triazole derivatives as active ingredients.

  本发明涉及一般的新的驱虫和杀虫组合物，更具体地说，是含有三唑衍生物作为活性成分的组合物。
• ANTHELMINTIC AGENTS AND INSECTICIDAL COMPOSITIONS
  申请人：Pharmacia & Upjohn Company LLC

  公开号：EP1597249A1

  公开（公告）日：2005-11-23
• [EN] ANTHELMINTIC AGENTS AND INSECTICIDAL COMPOSITIONS<br/>[FR] AGENTS ANTHELMINTIQUES ET COMPOSITIONS INSECTICIDES
  申请人：UPJOHN CO

  公开号：WO2004074272A1

  公开（公告）日：2004-09-02

  The present invention relates to novel anthelmintic and insecticidal compositions in general, and, more specifically, compositions containing triazole derivatives as active ingredients.