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

Systemtic Name: 5-(4-methylphenyl)-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(m-tolyl)piperazin-1-yl]methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-2-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(m-tolyl)piperazino]methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5S/c1-16-6-8-18(9-7-16)20-22-21(27)26(23-20)15-24-10-12-25(13-11-24)19-5-3-4-17(2)14-19/h3-9,14H,10-13,15H2,1-2H3,(H,22,23,27)