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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[3-(trifluoromethyl)phenyl]methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[[3-(trifluoromethyl)benzyl]thio]nicotinic acid ethyl ester Formula: C18H15F3N2O2S MolecularWeight: 380.38411

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N2O2S/c1-3-25-17(24)15-8-13(9-22)16(23-11(15)2)26-10-12-5-4-6-14(7-12)18(19,20)21/h4-8H,3,10H2,1-2H3