4-(2,1,3-benzoxadiazol-4-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,1,3-benzoxadiazol-4-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,1,3-benzoxadiazol-4-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,1,3-benzoxadiazol-4-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzofurazan-4-yl-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC=CC4=NON=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC=CC4=NON=C43)OC

InChI

InChI=1S/C16H13N5O3S/c1-22-12-7-6-9(8-13(12)23-2)15-17-18-16(25)21(15)11-5-3-4-10-14(11)20-24-19-10/h3-8H,1-2H3,(H,18,25)