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

Systemtic Name: 4-(2,1,3-benzoxadiazol-4-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,1,3-benzoxadiazol-4-yl)-3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-3-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,1,3-benzoxadiazol-4-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzofurazan-4-yl-3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione Formula: C21H14N8OS MolecularWeight: 426.45386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC3=NNC(=S)N3C4=CC=CC5=NON=C54)C6=CC=CC=N6

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC3=NNC(=S)N3C4=CC=CC5=NON=C54)C6=CC=CC=N6

InChI

InChI=1S/C21H14N8OS/c31-21-25-24-18(29(21)17-10-5-8-14-19(17)27-30-26-14)12-28-16-9-2-1-6-13(16)23-20(28)15-7-3-4-11-22-15/h1-11H,12H2,(H,25,31)