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

Systemtic Name: ethyl 2-(3-cyano-6-phenyl-4-pyridin-3-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-6-phenyl-4-(3-pyridyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-phenyl-4-(3-pyridinyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-6-phenyl-4-pyridin-3-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[3-cyano-6-phenyl-4-(3-pyridyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2S/c1-2-26-20(25)14-27-21-18(12-22)17(16-9-6-10-23-13-16)11-19(24-21)15-7-4-3-5-8-15/h3-11,13H,2,14H2,1H3