ethyl 2-(3-cyano-4-methyl-6-phenyl-pyridin-2-yl)sulfanyl-2-fluoranyl-ethanoate

Systemtic Name: ethyl 2-(3-cyano-4-methyl-6-phenyl-pyridin-2-yl)sulfanyl-2-fluoranyl-ethanoate Openeye Name: ethyl 2-[(3-cyano-4-methyl-6-phenyl-2-pyridyl)sulfanyl]-2-fluoro-acetate CAS Name: 2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)thio]-2-fluoroacetic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-4-methyl-6-phenylpyridin-2-yl)sulfanyl-2-fluoroacetate Traditional Name: 2-[(3-cyano-4-methyl-6-phenyl-2-pyridyl)thio]-2-fluoro-acetic acid ethyl ester Formula: C17H15FN2O2S MolecularWeight: 330.376603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(F)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C)C#N

Isomeric SMILES

CCOC(=O)C(F)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C)C#N

InChI

InChI=1S/C17H15FN2O2S/c1-3-22-17(21)15(18)23-16-13(10-19)11(2)9-14(20-16)12-7-5-4-6-8-12/h4-9,15H,3H2,1-2H3