5-(2-methylprop-2-enylsulfanyl)-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(2-methylprop-2-enylsulfanyl)-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-(2-methylallylsulfanyl)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-(2-methylprop-2-enylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-(2-methylallylthio)-1,3,4-thiadiazole-2-thione Formula: C17H23N4O2S4+ MolecularWeight: 443.65012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=C)CSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2S4/c1-14(2)12-25-16-18-21(17(24)26-16)13-19-8-10-20(11-9-19)27(22,23)15-6-4-3-5-7-15/h3-7H,1,8-13H2,2H3/p+1