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

Systemtic Name: 4-(3,4-dimethyl-2-oxidanylidene-6-sulfanylidene-pyrimidin-1-yl)-2,5-bis(fluoranyl)benzenecarbonitrile Openeye Name: 4-(3,4-dimethyl-2-oxo-6-thioxo-pyrimidin-1-yl)-2,5-difluoro-benzonitrile CAS Name: 4-(3,4-dimethyl-2-oxo-6-sulfanylidene-1-pyrimidinyl)-2,5-difluorobenzonitrile IUPAC Name: 4-(3,4-dimethyl-2-oxo-6-sulfanylidenepyrimidin-1-yl)-2,5-difluorobenzonitrile Traditional Name: 2,5-difluoro-4-(2-keto-3,4-dimethyl-6-thioxo-pyrimidin-1-yl)benzonitrile Formula: C13H9F2N3OS MolecularWeight: 293.291866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=S)N(C(=O)N1C)C2=C(C=C(C(=C2)F)C#N)F

Isomeric SMILES

CC1=CC(=S)N(C(=O)N1C)C2=C(C=C(C(=C2)F)C#N)F

InChI

InChI=1S/C13H9F2N3OS/c1-7-3-12(20)18(13(19)17(7)2)11-5-9(14)8(6-16)4-10(11)15/h3-5H,1-2H3