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

Systemtic Name: 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]acetate IUPAC Name: 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetate Formula: C20H13N2O2S- MolecularWeight: 345.39442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H14N2O2S/c21-12-17-16(14-7-3-1-4-8-14)11-18(15-9-5-2-6-10-15)22-20(17)25-13-19(23)24/h1-11H,13H2,(H,23,24)/p-1