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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C

InChI

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