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

Systemtic Name: 4-(2-bromanyl-4-methyl-phenyl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-bromo-4-methyl-phenyl)-3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-bromo-4-methylphenyl)-3-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-bromo-4-methylphenyl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-bromo-4-methyl-phenyl)-3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione Formula: C22H17BrN6S MolecularWeight: 477.37958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4N=C3C5=CC=CC=N5)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4N=C3C5=CC=CC=N5)Br

InChI

InChI=1S/C22H17BrN6S/c1-14-9-10-18(15(23)12-14)29-20(26-27-22(29)30)13-28-19-8-3-2-6-16(19)25-21(28)17-7-4-5-11-24-17/h2-12H,13H2,1H3,(H,27,30)