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

Systemtic Name: 2-(4-cyano-2-fluoranyl-phenyl)sulfanylethanoic acid Openeye Name: 2-(4-cyano-2-fluoro-phenyl)sulfanylacetic acid CAS Name: 2-[(4-cyano-2-fluorophenyl)thio]acetic acid IUPAC Name: 2-(4-cyano-2-fluorophenyl)sulfanylacetic acid Traditional Name: 2-[(4-cyano-2-fluoro-phenyl)thio]acetic acid Formula: C9H6FNO2S MolecularWeight: 211.212843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6FNO2S/c10-7-3-6(4-11)1-2-8(7)14-5-9(12)13/h1-3H,5H2,(H,12,13)