6-[2-[3-fluoranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-2-oxidanyl-3-propanoyl-cyclohex-2-en-1-one

Systemtic Name: 6-[2-[3-fluoranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-2-oxidanyl-3-propanoyl-cyclohex-2-en-1-one Openeye Name: 6-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]-2-hydroxy-3-propanoyl-cyclohex-2-en-1-one CAS Name: 6-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]thio]phenyl]-2-hydroxy-3-(1-oxopropyl)-1-cyclohex-2-enone IUPAC Name: 6-[2-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-2-hydroxy-3-propanoylcyclohex-2-en-1-one Traditional Name: 6-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridyl]thio]phenyl]-2-hydroxy-3-propionyl-cyclohex-2-en-1-one Formula: C21H17F4NO3S MolecularWeight: 439.423193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=O)C(CC1)C2=CC=CC=C2SC3=C(C=C(C=N3)C(F)(F)F)F)O

Isomeric SMILES

CCC(=O)C1=C(C(=O)C(CC1)C2=CC=CC=C2SC3=C(C=C(C=N3)C(F)(F)F)F)O

InChI

InChI=1S/C21H17F4NO3S/c1-2-16(27)14-8-7-13(18(28)19(14)29)12-5-3-4-6-17(12)30-20-15(22)9-11(10-26-20)21(23,24)25/h3-6,9-10,13,29H,2,7-8H2,1H3