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

Systemtic Name: 4-ethyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C16H24N5O2S2+ MolecularWeight: 382.52406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O2S2/c1-3-19-12-17-21(16(19)24)13-18-8-10-20(11-9-18)25(22,23)15-6-4-14(2)5-7-15/h4-7,12H,3,8-11,13H2,1-2H3/p+1