2-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]carbonyl-3-phenylsulfanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]carbonyl-3-phenylsulfanyl-cyclohex-2-en-1-one Openeye Name: 2-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-3-phenylsulfanyl-cyclohex-2-en-1-one CAS Name: 2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-oxomethyl]-3-(phenylthio)-1-cyclohex-2-enone IUPAC Name: 2-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-3-phenylsulfanylcyclohex-2-en-1-one Traditional Name: 2-[2-methyl-6-(trifluoromethyl)nicotinoyl]-3-(phenylthio)cyclohex-2-en-1-one Formula: C20H16F3NO2S MolecularWeight: 391.40675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C(F)(F)F)C(=O)C2=C(CCCC2=O)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=N1)C(F)(F)F)C(=O)C2=C(CCCC2=O)SC3=CC=CC=C3

InChI

InChI=1S/C20H16F3NO2S/c1-12-14(10-11-17(24-12)20(21,22)23)19(26)18-15(25)8-5-9-16(18)27-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3