1-[3,4-bis(fluoranyl)phenyl]-2-pyrimidin-2-ylsulfanyl-propan-1-one

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]-2-pyrimidin-2-ylsulfanyl-propan-1-one Openeye Name: 1-(3,4-difluorophenyl)-2-pyrimidin-2-ylsulfanyl-propan-1-one CAS Name: 1-(3,4-difluorophenyl)-2-(2-pyrimidinylthio)-1-propanone IUPAC Name: 1-(3,4-difluorophenyl)-2-pyrimidin-2-ylsulfanylpropan-1-one Traditional Name: 1-(3,4-difluorophenyl)-2-(2-pyrimidylthio)propan-1-one Formula: C13H10F2N2OS MolecularWeight: 280.293106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)F)F)SC2=NC=CC=N2

Isomeric SMILES

CC(C(=O)C1=CC(=C(C=C1)F)F)SC2=NC=CC=N2

InChI

InChI=1S/C13H10F2N2OS/c1-8(19-13-16-5-2-6-17-13)12(18)9-3-4-10(14)11(15)7-9/h2-8H,1H3