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

Systemtic Name: 4-(2,5-dimethoxyphenyl)-5-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,5-dimethoxyphenyl)-5-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(2,5-dimethoxyphenyl)-5-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,5-dimethoxyphenyl)-5-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,5-dimethoxyphenyl)-5-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1,2,4-triazole-3-thiolate Formula: C23H19N6O2S- MolecularWeight: 443.50096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NN=C2[S-])CN3C4=CC=CC=C4N=C3C5=CC=CC=N5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NN=C2[S-])CN3C4=CC=CC=C4N=C3C5=CC=CC=N5

InChI

InChI=1S/C23H20N6O2S/c1-30-15-10-11-20(31-2)19(13-15)29-21(26-27-23(29)32)14-28-18-9-4-3-7-16(18)25-22(28)17-8-5-6-12-24-17/h3-13H,14H2,1-2H3,(H,27,32)/p-1