[1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C21H18F3N3O3S MolecularWeight: 449.44613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

InChI

InChI=1S/C21H18F3N3O3S/c1-11(18(28)26-14-7-5-13(6-8-14)21(22,23)24)30-20(29)15-9-17(12-3-4-12)27-19(31-2)16(15)10-25/h5-9,11-12H,3-4H2,1-2H3,(H,26,28)