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

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-chloro-4-fluorophenyl)-3-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-chloro-4-fluorophenyl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione Formula: C21H14ClFN6S MolecularWeight: 436.892463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl)C5=CC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl)C5=CC=CC=N5

InChI

InChI=1S/C21H14ClFN6S/c22-14-11-13(8-9-15(14)23)29-19(26-27-21(29)30)12-28-18-7-2-1-5-16(18)25-20(28)17-6-3-4-10-24-17/h1-11H,12H2,(H,27,30)