5-methylsulfanyl-3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-methylsulfanyl-3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione CAS Name: 5-(methylthio)-3-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-methylsulfanyl-3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(methylthio)-3-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C17H25N4O2S4+ MolecularWeight: 445.666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2S4/c1-13(2)14-4-6-15(7-5-14)27(22,23)20-10-8-19(9-11-20)12-21-17(24)26-16(18-21)25-3/h4-7,13H,8-12H2,1-3H3/p+1