3-(4-cyano-2-fluoranyl-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(4-cyano-2-fluoranyl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(4-cyano-2-fluoro-phenyl)sulfanylpropanoic acid CAS Name: 3-[(4-cyano-2-fluorophenyl)thio]propanoic acid IUPAC Name: 3-(4-cyano-2-fluorophenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-cyano-2-fluoro-phenyl)thio]propionic acid Formula: C10H8FNO2S MolecularWeight: 225.239423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)F)SCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)F)SCCC(=O)O

InChI

InChI=1S/C10H8FNO2S/c11-8-5-7(6-12)1-2-9(8)15-4-3-10(13)14/h1-2,5H,3-4H2,(H,13,14)