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

Systemtic Name: 4-(4-chlorophenyl)-2-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(4-chlorophenyl)-2-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-chlorophenyl)-2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-chlorophenyl)-2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(4-chlorophenyl)-2-[[homoveratryl(methyl)amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C25H26ClN5O2S MolecularWeight: 496.02424

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H26ClN5O2S/c1-29(15-12-18-4-9-22(32-2)23(16-18)33-3)17-30-25(34)31(21-7-5-20(26)6-8-21)24(28-30)19-10-13-27-14-11-19/h4-11,13-14,16H,12,15,17H2,1-3H3