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

Systemtic Name: 2-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-cyclopropyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-cyclopropyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-cyclohexylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-cyclopropyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-cyclopropyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-cyclopropyl-1H-1,2,4-triazole-3-thione Formula: C22H32N5O2S2+ MolecularWeight: 462.65178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CN4C(=S)N=C(N4)C5CC5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CN4C(=S)N=C(N4)C5CC5

InChI

InChI=1S/C22H31N5O2S2/c28-31(29,20-10-8-18(9-11-20)17-4-2-1-3-5-17)26-14-12-25(13-15-26)16-27-22(30)23-21(24-27)19-6-7-19/h8-11,17,19H,1-7,12-16H2,(H,23,24,30)/p+1