3-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl]thian-4-one

Systemtic Name: 3-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl]thian-4-one Openeye Name: 3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]tetrahydrothiopyran-4-one CAS Name: 3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-4-thianone IUPAC Name: 3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]thian-4-one Traditional Name: 3-[2-keto-2-[3-(trifluoromethyl)phenyl]ethyl]tetrahydrothiopyran-4-one Formula: C14H13F3O2S MolecularWeight: 302.31203

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(C1=O)CC(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1CSCC(C1=O)CC(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C14H13F3O2S/c15-14(16,17)11-3-1-2-9(6-11)13(19)7-10-8-20-5-4-12(10)18/h1-3,6,10H,4-5,7-8H2