3-ethanoylsulfanyl-2-propanoyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: 3-ethanoylsulfanyl-2-propanoyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxylate Openeye Name: 3-acetylsulfanyl-2-propanoyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxylate CAS Name: 3-(acetylthio)-2-(1-oxopropyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxylate IUPAC Name: 3-acetylsulfanyl-2-propanoyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxylate Traditional Name: 3-(acetylthio)-2-propionyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxylate Formula: C15H12F3N2O4S2- MolecularWeight: 405.39199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(N(N=C(S1)C2=CC=C(C=C2)C(F)(F)F)SC(=O)C)C(=O)[O-]

Isomeric SMILES

CCC(=O)C1(N(N=C(S1)C2=CC=C(C=C2)C(F)(F)F)SC(=O)C)C(=O)[O-]

InChI

InChI=1S/C15H13F3N2O4S2/c1-3-11(22)14(13(23)24)20(26-8(2)21)19-12(25-14)9-4-6-10(7-5-9)15(16,17)18/h4-7H,3H2,1-2H3,(H,23,24)/p-1