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

Systemtic Name: 5-methyl-4-(4-methylphenyl)-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(4-methylphenyl)-2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-(4-methylphenyl)-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-(p-tolyl)-1,2,4-triazole-3-thione Formula: C21H25N6O2S+ MolecularWeight: 425.5272

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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=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2S/c1-16-3-5-19(6-4-16)26-17(2)22-25(21(26)30)15-23-11-13-24(14-12-23)18-7-9-20(10-8-18)27(28)29/h3-10H,11-15H2,1-2H3/p+1