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

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]-4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[homoveratryl(methyl)amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H27N5O2S MolecularWeight: 425.54708

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2S/c1-5-13-26-21(18-8-11-23-12-9-18)24-27(22(26)30)16-25(2)14-10-17-6-7-19(28-3)20(15-17)29-4/h5-9,11-12,15H,1,10,13-14,16H2,2-4H3