2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]acetic acid CAS Name: 2-[(3-cyano-6-phenyl-2-pyridinyl)thio]acetic acid IUPAC Name: 2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-cyano-6-phenyl-2-pyridyl)thio]acetic acid Formula: C14H10N2O2S MolecularWeight: 270.3064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)O

InChI

InChI=1S/C14H10N2O2S/c15-8-11-6-7-12(10-4-2-1-3-5-10)16-14(11)19-9-13(17)18/h1-7H,9H2,(H,17,18)