5-(4-ethylphenyl)-2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-ethylphenyl)-2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethylphenyl)-2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-ethylphenyl)-2-[[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethylphenyl)-2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-ethylphenyl)-2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C21H25N6O4S2+ MolecularWeight: 489.591

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4S2/c1-2-16-7-9-17(10-8-16)20-22-21(32)26(23-20)15-24-11-13-25(14-12-24)33(30,31)19-6-4-3-5-18(19)27(28)29/h3-10H,2,11-15H2,1H3,(H,22,23,32)/p+1