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

Systemtic Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-(propylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(propylthio)-1,3,4-thiadiazole-2-thione Formula: C16H22FN4O2S4+ MolecularWeight: 449.629883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21FN4O2S4/c1-2-10-25-15-18-21(16(24)26-15)12-19-6-8-20(9-7-19)27(22,23)14-5-3-4-13(17)11-14/h3-5,11H,2,6-10,12H2,1H3/p+1