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

Systemtic Name: 5-(4-methylphenyl)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(p-tolyl)-2-[[4-(4-pyridyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-2-[(4-pyridin-4-yl-1-piperazinyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(p-tolyl)-2-[[4-(4-pyridyl)piperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C19H22N6S MolecularWeight: 366.48318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6S/c1-15-2-4-16(5-3-15)18-21-19(26)25(22-18)14-23-10-12-24(13-11-23)17-6-8-20-9-7-17/h2-9H,10-14H2,1H3,(H,21,22,26)