3-[[1-methyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[1-methyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[1-methyl-6-oxo-4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[6-keto-1-methyl-4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C14H10F3N3OS MolecularWeight: 325.30891

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1SCC2=CC=CC(=C2)C#N)C(F)(F)F

Isomeric SMILES

CN1C(=O)C=C(N=C1SCC2=CC=CC(=C2)C#N)C(F)(F)F

InChI

InChI=1S/C14H10F3N3OS/c1-20-12(21)6-11(14(15,16)17)19-13(20)22-8-10-4-2-3-9(5-10)7-18/h2-6H,8H2,1H3