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

Systemtic Name: 5-methyl-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-methyl-2-[[4-(m-tolyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-2-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-methyl-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-methyl-2-[[4-(m-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=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C)CC4=CC=CC=C4

InChI

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