4-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[[4-(o-tolyl)piperazin-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[[4-(o-tolyl)piperazino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C20H24N6S MolecularWeight: 380.50976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)C

InChI

InChI=1S/C20H24N6S/c1-16-6-3-4-8-18(16)25-12-10-24(11-13-25)15-26-20(27)23(2)19(22-26)17-7-5-9-21-14-17/h3-9,14H,10-13,15H2,1-2H3