4-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]benzoate

Systemtic Name: 4-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]benzoate Openeye Name: 4-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]benzoate CAS Name: 4-[(4-cyano-2-fluorophenyl)methylthio]benzoate IUPAC Name: 4-[(4-cyano-2-fluorophenyl)methylsulfanyl]benzoate Traditional Name: 4-[(4-cyano-2-fluoro-benzyl)thio]benzoate Formula: C15H9FNO2S- MolecularWeight: 286.300863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])SCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])SCC2=C(C=C(C=C2)C#N)F

InChI

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