3-oxidanylidene-N-[2-[2,2,2-tris(fluoranyl)ethylsulfanyl]phenyl]butanamide

Systemtic Name: 3-oxidanylidene-N-[2-[2,2,2-tris(fluoranyl)ethylsulfanyl]phenyl]butanamide Openeye Name: 3-oxo-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide CAS Name: 3-oxo-N-[2-(2,2,2-trifluoroethylthio)phenyl]butanamide IUPAC Name: 3-oxo-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide Traditional Name: 3-keto-N-[2-(2,2,2-trifluoroethylthio)phenyl]butyramide Formula: C12H12F3NO2S MolecularWeight: 291.28939

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=CC=C1SCC(F)(F)F

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=CC=C1SCC(F)(F)F

InChI

InChI=1S/C12H12F3NO2S/c1-8(17)6-11(18)16-9-4-2-3-5-10(9)19-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)