4-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3,4-dimethoxyphenyl)-3-[(1-methyl-2-pyrrolyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NNC(=S)N2C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C=CC=C1CC2=NNC(=S)N2C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C16H18N4O2S/c1-19-8-4-5-11(19)10-15-17-18-16(23)20(15)12-6-7-13(21-2)14(9-12)22-3/h4-9H,10H2,1-3H3,(H,18,23)