3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-isobutylsulfanyl-3-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-(2-methylpropylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(isobutylthio)-3-[(4-tosylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C18H27N4O2S4+ MolecularWeight: 459.69258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2S4/c1-14(2)12-26-17-19-22(18(25)27-17)13-20-8-10-21(11-9-20)28(23,24)16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3/p+1