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

Systemtic Name: 4-(3-methylphenyl)-5-phenyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(m-tolyl)-5-phenyl-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(3-methylphenyl)-5-phenyl-2-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(3-methylphenyl)-5-phenyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(m-tolyl)-5-phenyl-2-[[4-(4-pyridylmethyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C26H28N6S MolecularWeight: 456.60572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6S/c1-21-6-5-9-24(18-21)32-25(23-7-3-2-4-8-23)28-31(26(32)33)20-30-16-14-29(15-17-30)19-22-10-12-27-13-11-22/h2-13,18H,14-17,19-20H2,1H3