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

Systemtic Name: 4-cyclopropyl-2-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[methyl(veratryl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

InChI

InChI=1S/C21H25N5O2S/c1-24(13-15-6-9-18(27-2)19(11-15)28-3)14-25-21(29)26(17-7-8-17)20(23-25)16-5-4-10-22-12-16/h4-6,9-12,17H,7-8,13-14H2,1-3H3