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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C)C

InChI

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