2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]acetonitrile IUPAC Name: 2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]acetonitrile Formula: C7H4F3N3OS MolecularWeight: 235.18637

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=NC1=O)SCC#N)C(F)(F)F

Isomeric SMILES

C1=C(NC(=NC1=O)SCC#N)C(F)(F)F

InChI

InChI=1S/C7H4F3N3OS/c8-7(9,10)4-3-5(14)13-6(12-4)15-2-1-11/h3H,2H2,(H,12,13,14)