3-(phenylmethylsulfanyl)-6-[3-(trifluoromethyloxy)phenyl]pyran-2-one

Systemtic Name: 3-(phenylmethylsulfanyl)-6-[3-(trifluoromethyloxy)phenyl]pyran-2-one Openeye Name: 3-benzylsulfanyl-6-[3-(trifluoromethoxy)phenyl]pyran-2-one CAS Name: 3-(phenylmethylthio)-6-[3-(trifluoromethoxy)phenyl]-2-pyranone IUPAC Name: 3-benzylsulfanyl-6-[3-(trifluoromethoxy)phenyl]pyran-2-one Traditional Name: 3-(benzylthio)-6-[3-(trifluoromethoxy)phenyl]pyran-2-one Formula: C19H13F3O3S MolecularWeight: 378.36493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=C(OC2=O)C3=CC(=CC=C3)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=C(OC2=O)C3=CC(=CC=C3)OC(F)(F)F

InChI

InChI=1S/C19H13F3O3S/c20-19(21,22)25-15-8-4-7-14(11-15)16-9-10-17(18(23)24-16)26-12-13-5-2-1-3-6-13/h1-11H,12H2