6-[2,3-bis(fluoranyl)phenyl]-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-[2,3-bis(fluoranyl)phenyl]-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(2,3-difluorophenyl)-2-methylsulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(2,3-difluorophenyl)-2-(methylthio)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(2,3-difluorophenyl)-2-methylsulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(2,3-difluorophenyl)-4-keto-2-(methylthio)-1H-pyrimidine-5-carbonitrile Formula: C12H7F2N3OS MolecularWeight: 279.265286

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)C2=C(C(=CC=C2)F)F)C#N

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)C2=C(C(=CC=C2)F)F)C#N

InChI

InChI=1S/C12H7F2N3OS/c1-19-12-16-10(7(5-15)11(18)17-12)6-3-2-4-8(13)9(6)14/h2-4H,1H3,(H,16,17,18)