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

Systemtic Name: 5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-methyl-2-[[4-(o-tolyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-2-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-methyl-2-[[4-(o-tolyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C22H27N5S MolecularWeight: 393.54828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)C)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N5S/c1-18-8-6-7-11-21(18)25-14-12-24(13-15-25)17-27-22(28)26(19(2)23-27)16-20-9-4-3-5-10-20/h3-11H,12-17H2,1-2H3