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

Systemtic Name: ethyl 2-(3-cyano-6-pyridin-3-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-6-(3-pyridyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(3-pyridinyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[3-cyano-6-(3-pyridyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S/c1-2-20-14(19)10-21-15-11(8-16)5-6-13(18-15)12-4-3-7-17-9-12/h3-7,9H,2,10H2,1H3