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

Systemtic Name: 4-cyclopropyl-2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C19H28N5O2S2+ MolecularWeight: 422.58792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C)C4CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C)C4CC4)C

InChI

InChI=1S/C19H27N5O2S2/c1-14-4-7-18(15(2)12-14)28(25,26)22-10-8-21(9-11-22)13-23-19(27)24(16(3)20-23)17-5-6-17/h4,7,12,17H,5-6,8-11,13H2,1-3H3/p+1