4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(1-pyrrolyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-homoveratryl-3-(4-pyrrol-1-ylphenyl)-1H-1,2,4-triazole-5-thione Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(C=C3)N4C=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(C=C3)N4C=CC=C4)OC

InChI

InChI=1S/C22H22N4O2S/c1-27-19-10-5-16(15-20(19)28-2)11-14-26-21(23-24-22(26)29)17-6-8-18(9-7-17)25-12-3-4-13-25/h3-10,12-13,15H,11,14H2,1-2H3,(H,24,29)