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

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Formula: C17H26N5O2S2+ MolecularWeight: 396.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C17H25N5O2S2/c1-4-20-12-18-22(17(20)25)13-19-7-9-21(10-8-19)26(23,24)16-6-5-14(2)11-15(16)3/h5-6,11-12H,4,7-10,13H2,1-3H3/p+1