2,5-bis(fluoranyl)-4-[2-methylsulfanyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]benzenecarbonitrile

Systemtic Name: 2,5-bis(fluoranyl)-4-[2-methylsulfanyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 2,5-difluoro-4-[2-methylsulfanyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]benzonitrile CAS Name: 2,5-difluoro-4-[2-(methylthio)-6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]benzonitrile IUPAC Name: 2,5-difluoro-4-[2-methylsulfanyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]benzonitrile Traditional Name: 2,5-difluoro-4-[6-keto-2-(methylthio)-4-(trifluoromethyl)pyrimidin-1-yl]benzonitrile Formula: C13H6F5N3OS MolecularWeight: 347.263256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H6F5N3OS/c1-23-12-20-10(13(16,17)18)4-11(22)21(12)9-3-7(14)6(5-19)2-8(9)15/h2-4H,1H3