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

Systemtic Name: 2,5-bis(fluoranyl)-4-[4-oxidanylidene-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzenecarbonitrile Openeye Name: 2,5-difluoro-4-[4-oxo-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzonitrile CAS Name: 2,5-difluoro-4-[4-oxo-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzonitrile IUPAC Name: 2,5-difluoro-4-[4-oxo-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzonitrile Traditional Name: 2,5-difluoro-4-[4-keto-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzonitrile Formula: C12H4F5N3OS MolecularWeight: 333.236676

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1F)N2C(=O)C=C(NC2=S)C(F)(F)F)F)C#N

Isomeric SMILES

C1=C(C(=CC(=C1F)N2C(=O)C=C(NC2=S)C(F)(F)F)F)C#N

InChI

InChI=1S/C12H4F5N3OS/c13-6-2-8(7(14)1-5(6)4-18)20-10(21)3-9(12(15,16)17)19-11(20)22/h1-3H,(H,19,22)