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

Systemtic Name: ethyl 5-cyano-2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-phenyl-6-[[3-(trifluoromethyl)phenyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-2-phenyl-6-[[3-(trifluoromethyl)phenyl]thio]nicotinic acid ethyl ester Formula: C22H15F3N2O2S MolecularWeight: 428.42691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H15F3N2O2S/c1-2-29-21(28)18-11-15(13-26)20(27-19(18)14-7-4-3-5-8-14)30-17-10-6-9-16(12-17)22(23,24)25/h3-12H,2H2,1H3