4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1,2,4-triazole-3-thiolate Formula: C23H17N6O2S- MolecularWeight: 441.48508

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])CN4C5=CC=CC=C5N=C4C6=CC=CC=N6

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])CN4C5=CC=CC=C5N=C4C6=CC=CC=N6

InChI

InChI=1S/C23H18N6O2S/c32-23-27-26-21(29(23)15-8-9-19-20(13-15)31-12-11-30-19)14-28-18-7-2-1-5-16(18)25-22(28)17-6-3-4-10-24-17/h1-10,13H,11-12,14H2,(H,27,32)/p-1