4-{[(6-methoxy-2-naphthyl)methylene]amino}-5-[4-(methylsulfonyl)benzyl]-2,4-dihydro-3H-[1,2,4]-triazole-3-thione | 1414883-46-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-{[(6-methoxy-2-naphthyl)methylene]amino}-5-[4-(methylsulfonyl)benzyl]-2,4-dihydro-3H-[1,2,4]-triazole-3-thione
• CAS: 1414883-46-7
• 化学式: C₂₂H₂₀N₄O₃S₂
• 分子量: 452.558
• InChiKey: KSYLVBRLIMTALS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.98
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  89.34
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2-(4-(methylsulfonyl)phenyl)acetohydrazide 在 溶剂黄146 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 4-{[(6-methoxy-2-naphthyl)methylene]amino}-5-[4-(methylsulfonyl)benzyl]-2,4-dihydro-3H-[1,2,4]-triazole-3-thione
  参考文献：
  名称：

  Synthesis and biological evaluation of some Schiff bases of 4-amino-5-(4-methylsulfonyl)benzyl-2,4-dihydro-3H-[1,2,4]-triazole-3-thione

  摘要：

  The basic nucleus 4-amino-5-[4-(methylsulfonyl)benzyl]-2,4-dihydro-3H-[1,2,4]-triazole-3-thione was prepared by cyclisation of potassium dithiocarbazinate with hydrazine hydrate using ethanol as solvent under reflux condition. The compound which has been synthesized successfully was subjected to addition reaction with different aldehydes to synthesize Schiff bases. The compounds were confirmed by spectroscopic methods (IR, NMR, and Mass). In order to ascertain the pharmaceutical application, the selective pharmacological screening of the derivatives was carried out according to the standard procedures. The compounds were screened for their cytotoxic activity and antimicrobial activity.

  DOI：

  10.1007/s00044-012-0294-5