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

Systemtic Name: 2-(3-cyano-6-cyclopropyl-4-phenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: 2-[(3-cyano-6-cyclopropyl-4-phenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-cyclopropyl-4-phenyl-2-pyridinyl)thio]acetate IUPAC Name: 2-(3-cyano-6-cyclopropyl-4-phenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-cyclopropyl-4-phenyl-2-pyridyl)thio]acetate Formula: C17H13N2O2S- MolecularWeight: 309.36232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)[O-]

Isomeric SMILES

C1CC1C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)[O-]

InChI

InChI=1S/C17H14N2O2S/c18-9-14-13(11-4-2-1-3-5-11)8-15(12-6-7-12)19-17(14)22-10-16(20)21/h1-5,8,12H,6-7,10H2,(H,20,21)/p-1