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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-homoveratryl-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-22-14-4-3-12(11-15(14)23-2)7-10-21-16(19-20-17(21)24)13-5-8-18-9-6-13/h3-6,8-9,11H,7,10H2,1-2H3,(H,20,24)