2-(2-oxidanylidenepropylsulfanyl)-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 2-(2-oxidanylidenepropylsulfanyl)-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 2-acetonylsulfanyl-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 2-(2-oxopropylthio)-3-phenyl-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 2-(2-oxopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 2-(acetonylthio)-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one Formula: C14H11F3N2O2S MolecularWeight: 328.30955

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=CC(=O)N1C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CC(=O)CSC1=NC(=CC(=O)N1C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O2S/c1-9(20)8-22-13-18-11(14(15,16)17)7-12(21)19(13)10-5-3-2-4-6-10/h2-7H,8H2,1H3