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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione Formula: C22H16N6O2S MolecularWeight: 428.46644

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CN4C5=CC=CC=C5N=C4C6=CC=CC=N6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CN4C5=CC=CC=C5N=C4C6=CC=CC=N6

InChI

InChI=1S/C22H16N6O2S/c31-22-26-25-20(28(22)14-8-9-18-19(11-14)30-13-29-18)12-27-17-7-2-1-5-15(17)24-21(27)16-6-3-4-10-23-16/h1-11H,12-13H2,(H,26,31)