2-(4-cyano-2-fluoranyl-phenyl)sulfanylpropanoic acid

Systemtic Name: 2-(4-cyano-2-fluoranyl-phenyl)sulfanylpropanoic acid Openeye Name: 2-(4-cyano-2-fluoro-phenyl)sulfanylpropanoic acid CAS Name: 2-[(4-cyano-2-fluorophenyl)thio]propanoic acid IUPAC Name: 2-(4-cyano-2-fluorophenyl)sulfanylpropanoic acid Traditional Name: 2-[(4-cyano-2-fluoro-phenyl)thio]propionic acid Formula: C10H8FNO2S MolecularWeight: 225.239423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C=C(C=C1)C#N)F

Isomeric SMILES

CC(C(=O)O)SC1=C(C=C(C=C1)C#N)F

InChI

InChI=1S/C10H8FNO2S/c1-6(10(13)14)15-9-3-2-7(5-12)4-8(9)11/h2-4,6H,1H3,(H,13,14)