2,5-bis(fluoranyl)-4-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-3-yl)benzenecarbonitrile

Systemtic Name: 2,5-bis(fluoranyl)-4-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-3-yl)benzenecarbonitrile Openeye Name: 2,5-difluoro-4-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-3-yl)benzonitrile CAS Name: 2,5-difluoro-4-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)benzonitrile IUPAC Name: 2,5-difluoro-4-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)benzonitrile Traditional Name: 2,5-difluoro-4-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-3-yl)benzonitrile Formula: C12H7F2N3OS MolecularWeight: 279.265286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=S)N1)C2=C(C=C(C(=C2)F)C#N)F

Isomeric SMILES

CC1=CC(=O)N(C(=S)N1)C2=C(C=C(C(=C2)F)C#N)F

InChI

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