2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]benzoic acid Openeye Name: 2-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]benzoic acid CAS Name: 2-[(4-cyano-2-fluorophenyl)methylthio]benzoic acid IUPAC Name: 2-[(4-cyano-2-fluorophenyl)methylsulfanyl]benzoic acid Traditional Name: 2-[(4-cyano-2-fluoro-benzyl)thio]benzoic acid Formula: C15H10FNO2S MolecularWeight: 287.308803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C15H10FNO2S/c16-13-7-10(8-17)5-6-11(13)9-20-14-4-2-1-3-12(14)15(18)19/h1-7H,9H2,(H,18,19)