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

Systemtic Name: 4-(4-cyano-2-fluoranyl-phenyl)sulfanylbenzoic acid Openeye Name: 4-(4-cyano-2-fluoro-phenyl)sulfanylbenzoic acid CAS Name: 4-[(4-cyano-2-fluorophenyl)thio]benzoic acid IUPAC Name: 4-(4-cyano-2-fluorophenyl)sulfanylbenzoic acid Traditional Name: 4-[(4-cyano-2-fluoro-phenyl)thio]benzoic acid Formula: C14H8FNO2S MolecularWeight: 273.282223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C14H8FNO2S/c15-12-7-9(8-16)1-6-13(12)19-11-4-2-10(3-5-11)14(17)18/h1-7H,(H,17,18)