3,5-bis[2-(trifluoromethyl)phenyl]thian-4-one

Systemtic Name: 3,5-bis[2-(trifluoromethyl)phenyl]thian-4-one Openeye Name: 3,5-bis[2-(trifluoromethyl)phenyl]tetrahydrothiopyran-4-one CAS Name: 3,5-bis[2-(trifluoromethyl)phenyl]-4-thianone IUPAC Name: 3,5-bis[2-(trifluoromethyl)phenyl]thian-4-one Traditional Name: 3,5-bis[2-(trifluoromethyl)phenyl]tetrahydrothiopyran-4-one Formula: C19H14F6OS MolecularWeight: 404.369279

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C(CS1)C2=CC=CC=C2C(F)(F)F)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1C(C(=O)C(CS1)C2=CC=CC=C2C(F)(F)F)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H14F6OS/c20-18(21,22)15-7-3-1-5-11(15)13-9-27-10-14(17(13)26)12-6-2-4-8-16(12)19(23,24)25/h1-8,13-14H,9-10H2