4-(5-chloranyl-2-methoxy-phenyl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(5-chloranyl-2-methoxy-phenyl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(5-chloro-2-methoxy-phenyl)-3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(5-chloro-2-methoxyphenyl)-3-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(5-chloro-2-methoxyphenyl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(5-chloro-2-methoxy-phenyl)-3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione Formula: C22H17ClN6OS MolecularWeight: 448.92798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)CN3C4=CC=CC=C4N=C3C5=CC=CC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)CN3C4=CC=CC=C4N=C3C5=CC=CC=N5

InChI

InChI=1S/C22H17ClN6OS/c1-30-19-10-9-14(23)12-18(19)29-20(26-27-22(29)31)13-28-17-8-3-2-6-15(17)25-21(28)16-7-4-5-11-24-16/h2-12H,13H2,1H3,(H,27,31)