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

Systemtic Name: (phenylmethyl) 2-(3-cyano-6-pyridin-3-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-6-(3-pyridyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(3-pyridinyl)-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[3-cyano-6-(3-pyridyl)-2-pyridyl]thio]acetic acid benzyl ester Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2S/c21-11-16-8-9-18(17-7-4-10-22-12-17)23-20(16)26-14-19(24)25-13-15-5-2-1-3-6-15/h1-10,12H,13-14H2