ethyl 5-cyano-6-methyl-2-[2-[[3-(trifluoromethyl)phenyl]carbonylamino]phenyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-2-[2-[[3-(trifluoromethyl)phenyl]carbonylamino]phenyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-2-[2-[[3-(trifluoromethyl)benzoyl]amino]phenyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-[[2-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]phenyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-[2-[[3-(trifluoromethyl)benzoyl]amino]phenyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-methyl-2-[[2-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thio]nicotinic acid ethyl ester Formula: C24H18F3N3O3S MolecularWeight: 485.47823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)SC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)SC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C24H18F3N3O3S/c1-3-33-23(32)18-12-16(13-28)14(2)29-22(18)34-20-10-5-4-9-19(20)30-21(31)15-7-6-8-17(11-15)24(25,26)27/h4-12H,3H2,1-2H3,(H,30,31)