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

Systemtic Name: 5-methyl-4-(2-methylphenyl)-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-methyl-2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-4-(o-tolyl)-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(2-methylphenyl)-2-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-(2-methylphenyl)-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-methyl-2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-4-(o-tolyl)-1,2,4-triazole-3-thione Formula: C22H28N5S+ MolecularWeight: 394.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C)C4=CC=CC=C4C

InChI

InChI=1S/C22H27N5S/c1-17-7-6-9-20(15-17)25-13-11-24(12-14-25)16-26-22(28)27(19(3)23-26)21-10-5-4-8-18(21)2/h4-10,15H,11-14,16H2,1-3H3/p+1