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

Systemtic Name: 2-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-cyclohexylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4,5-dimethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-1,2,4-triazole-3-thione Formula: C21H32N5O2S2+ MolecularWeight: 450.64108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=NN(C(=S)N1C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C21H31N5O2S2/c1-17-22-26(21(29)23(17)2)16-24-12-14-25(15-13-24)30(27,28)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,18H,3-7,12-16H2,1-2H3/p+1