ethyl 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetic acid ethyl ester Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O2S/c1-2-26-21(25)15-27-22-19(14-23)18(16-9-5-3-6-10-16)13-20(24-22)17-11-7-4-8-12-17/h3-13H,2,15H2,1H3