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

Systemtic Name: 5-methylsulfanyl-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-methylsulfanyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-(methylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-(methylthio)-1,3,4-thiadiazole-2-thione Formula: C14H19N4O2S4+ MolecularWeight: 403.58626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S4/c1-22-13-15-18(14(21)23-13)11-16-7-9-17(10-8-16)24(19,20)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3/p+1