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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C20H24N6S/c1-16-2-4-18(5-3-16)19-22-20(27)26(23-19)15-25-12-10-24(11-13-25)14-17-6-8-21-9-7-17/h2-9H,10-15H2,1H3,(H,22,23,27)