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

Systemtic Name: 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: 2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]acetate IUPAC Name: 2-(3-cyano-4-phenyl-6-thiophen-2-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]thio]acetate Formula: C18H11N2O2S2- MolecularWeight: 351.42214

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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=CS3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H12N2O2S2/c19-10-14-13(12-5-2-1-3-6-12)9-15(16-7-4-8-23-16)20-18(14)24-11-17(21)22/h1-9H,11H2,(H,21,22)/p-1