5-(BENZIMIDAZOL-2-YLTHIOMETHYL)-4-PHENYL-1,2,4-TRIAZOLE-3-THIOL

CAS号
328106-49-6
CCD编号
CCD00082970
分子式
C16 H13 N5 S2
分子量
339.446

基本信息

产品名称: 5-(BENZIMIDAZOL-2-YLTHIOMETHYL)-4-PHENYL-1,2,4-TRIAZOLE-3-THIOL
CAS: 328106-49-6
英文同义词: 5-(BENZIMIDAZOL-2-YLTHIOMETHYL)-4-PHENYL-1,2,4-TRIAZOLE-3-THIOL ; 5-[(1H-1,3-BENZIMIDAZOL-2-YLSULFANYL)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE ; 5-[(1H-1,3-BENZIMIDAZOL-2-YLSULFANYL)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
MDL号: MFCD00169914
氢键受体数量: 5
氢键供体数量: 1
Smile: c1ccc(cc1)n2c(nnc2S)CSc3[nH]c4ccccc4n3
InChi: InChI=1S/C16H13N5S2/c22-16-20-19-14(21(16)11-6-2-1-3-7-11)10-23-15-17-12-8-4-5-9-13(12)18-15/h1-9H,10H2,(H,17,18)(H,20,22)
InChiKey: InChIKey=JDSIGNGXNWEWSN-UHFFFAOYSA-N

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