4-cyclohexyl-2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclohexyl-2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Openeye Name: 4-cyclohexyl-2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 4-cyclohexyl-2-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclohexyl-2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Traditional Name: 4-cyclohexyl-2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C22H34N5O2S2+ MolecularWeight: 464.66766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C)C4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C)C4CCCCC4

InChI

InChI=1S/C22H33N5O2S2/c1-17-9-10-18(2)21(15-17)31(28,29)25-13-11-24(12-14-25)16-26-22(30)27(19(3)23-26)20-7-5-4-6-8-20/h9-10,15,20H,4-8,11-14,16H2,1-3H3/p+1