2-(3-cyanopyridin-2-yl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(3-cyanopyridin-2-yl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[(3-cyano-2-pyridyl)sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(3-cyano-2-pyridinyl)thio]-2-phenylacetic acid IUPAC Name: 2-(3-cyanopyridin-2-yl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(3-cyano-2-pyridyl)thio]-2-phenyl-acetic acid Formula: C14H10N2O2S MolecularWeight: 270.3064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C=CC=N2)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C=CC=N2)C#N

InChI

InChI=1S/C14H10N2O2S/c15-9-11-7-4-8-16-13(11)19-12(14(17)18)10-5-2-1-3-6-10/h1-8,12H,(H,17,18)