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

Systemtic Name: ethyl 2-[6-(4-bromophenyl)-3-cyano-4-methyl-pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[6-(4-bromophenyl)-3-cyano-4-methyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-methyl-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(4-bromophenyl)-3-cyano-4-methylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-methyl-2-pyridyl]thio]acetic acid ethyl ester Formula: C17H15BrN2O2S MolecularWeight: 391.2822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O2S/c1-3-22-16(21)10-23-17-14(9-19)11(2)8-15(20-17)12-4-6-13(18)7-5-12/h4-8H,3,10H2,1-2H3