2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-isopropyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-isopropyl-1,2,4-triazole-3-thione Formula: C16H22Cl2N5O2S2+ MolecularWeight: 451.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)N1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H21Cl2N5O2S2/c1-12(2)22-10-19-23(16(22)26)11-20-5-7-21(8-6-20)27(24,25)13-3-4-14(17)15(18)9-13/h3-4,9-10,12H,5-8,11H2,1-2H3/p+1