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

Systemtic Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-(methylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(methylthio)-1,3,4-thiadiazole-2-thione Formula: C14H18FN4O2S4+ MolecularWeight: 421.576723

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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=C3F

Isomeric SMILES

CSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C14H17FN4O2S4/c1-23-13-16-19(14(22)24-13)10-17-6-8-18(9-7-17)25(20,21)12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3/p+1