ethyl 2-[4-(3-chloranyl-4-fluoranyl-phenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(3-chloranyl-4-fluoranyl-phenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[4-(3-chloro-4-fluoro-phenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[4-(3-chloro-4-fluorophenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-chloro-4-fluorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(3-chloro-4-fluoro-phenyl)-3-cyano-6-phenyl-2-pyridyl]thio]acetic acid ethyl ester Formula: C22H16ClFN2O2S MolecularWeight: 426.891043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl)C#N

InChI

InChI=1S/C22H16ClFN2O2S/c1-2-28-21(27)13-29-22-17(12-25)16(15-8-9-19(24)18(23)10-15)11-20(26-22)14-6-4-3-5-7-14/h3-11H,2,13H2,1H3