1-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-2-oxidanylidene-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

Systemtic Name: 1-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-2-oxidanylidene-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile Openeye Name: 1-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile CAS Name: 1-methyl-5-[2-(methylthio)-4-pyrimidinyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3-pyridinecarbonitrile IUPAC Name: 1-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile Traditional Name: 2-keto-1-methyl-5-[2-(methylthio)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]nicotinonitrile Formula: C19H13F3N4OS MolecularWeight: 402.39293

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=C(C1=O)C#N)C2=NC(=NC=C2)SC)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CN1C(=C(C=C(C1=O)C#N)C2=NC(=NC=C2)SC)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H13F3N4OS/c1-26-16(11-4-3-5-13(8-11)19(20,21)22)14(9-12(10-23)17(26)27)15-6-7-24-18(25-15)28-2/h3-9H,1-2H3