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

Systemtic Name: 4-[(4-cyano-2-fluoranyl-phenyl)methylsulfanylmethyl]benzoic acid Openeye Name: 4-[(4-cyano-2-fluoro-phenyl)methylsulfanylmethyl]benzoic acid CAS Name: 4-[[(4-cyano-2-fluorophenyl)methylthio]methyl]benzoic acid IUPAC Name: 4-[(4-cyano-2-fluorophenyl)methylsulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-cyano-2-fluoro-benzyl)thio]methyl]benzoic acid Formula: C16H12FNO2S MolecularWeight: 301.335383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=C(C=C(C=C2)C#N)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSCC2=C(C=C(C=C2)C#N)F)C(=O)O

InChI

InChI=1S/C16H12FNO2S/c17-15-7-12(8-18)3-6-14(15)10-21-9-11-1-4-13(5-2-11)16(19)20/h1-7H,9-10H2,(H,19,20)