ethyl 5-cyano-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-phenyl-6-[[3-(trifluoromethyl)benzyl]thio]nicotinic acid ethyl ester Formula: C23H17F3N2O2S MolecularWeight: 442.45349

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C23H17F3N2O2S/c1-2-30-22(29)19-12-17(13-27)21(28-20(19)16-8-4-3-5-9-16)31-14-15-7-6-10-18(11-15)23(24,25)26/h3-12H,2,14H2,1H3