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

Systemtic Name: 4-ethyl-5-(2-methylphenyl)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-(o-tolyl)-2-[[4-(4-pyridyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-(2-methylphenyl)-2-[(4-pyridin-4-yl-1-piperazinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-(2-methylphenyl)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-(o-tolyl)-2-[[4-(4-pyridyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C21H26N6S MolecularWeight: 394.53634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=NC=C3)C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=NC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C21H26N6S/c1-3-26-20(19-7-5-4-6-17(19)2)23-27(21(26)28)16-24-12-14-25(15-13-24)18-8-10-22-11-9-18/h4-11H,3,12-16H2,1-2H3