2,6-bis[4-(trifluoromethyl)phenyl]thian-4-one

Systemtic Name: 2,6-bis[4-(trifluoromethyl)phenyl]thian-4-one Openeye Name: 2,6-bis[4-(trifluoromethyl)phenyl]tetrahydrothiopyran-4-one CAS Name: 2,6-bis[4-(trifluoromethyl)phenyl]-4-thianone IUPAC Name: 2,6-bis[4-(trifluoromethyl)phenyl]thian-4-one Traditional Name: 2,6-bis[4-(trifluoromethyl)phenyl]tetrahydrothiopyran-4-one Formula: C19H14F6OS MolecularWeight: 404.369279

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(CC1=O)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C(SC(CC1=O)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

InChI

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