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

Systemtic Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Formula: C15H21ClN5O2S2+ MolecularWeight: 402.94254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN5O2S2/c1-2-19-11-17-21(15(19)24)12-18-6-8-20(9-7-18)25(22,23)14-5-3-4-13(16)10-14/h3-5,10-11H,2,6-9,12H2,1H3/p+1