(phenylmethyl) 2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-phenyl-2-pyridinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-phenyl-2-pyridyl)thio]acetic acid benzyl ester Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H16N2O2S/c22-13-18-11-12-19(17-9-5-2-6-10-17)23-21(18)26-15-20(24)25-14-16-7-3-1-4-8-16/h1-12H,14-15H2