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

Systemtic Name: 4-(4-methylphenyl)-5-pyridin-4-yl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(p-tolyl)-5-(4-pyridyl)-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(4-methylphenyl)-5-pyridin-4-yl-2-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(4-methylphenyl)-5-pyridin-4-yl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(p-tolyl)-5-(4-pyridyl)-2-[[4-(4-pyridylmethyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C25H27N7S MolecularWeight: 457.59378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)CC4=CC=NC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)CC4=CC=NC=C4)C5=CC=NC=C5

InChI

InChI=1S/C25H27N7S/c1-20-2-4-23(5-3-20)32-24(22-8-12-27-13-9-22)28-31(25(32)33)19-30-16-14-29(15-17-30)18-21-6-10-26-11-7-21/h2-13H,14-19H2,1H3