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

Systemtic Name: ethyl 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]acetic acid ethyl ester Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O2S/c1-2-27-21(26)14-28-22-19(13-24)18(15-6-4-3-5-7-15)12-20(25-22)16-8-10-17(23)11-9-16/h3-12H,2,14H2,1H3