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

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Openeye Name: 5-propylsulfanyl-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-(propylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Traditional Name: 5-(propylthio)-3-[(4-tosylpiperazin-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:

CCCSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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