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2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]benzoic acid

2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]benzoic acid

Systemtic Name:2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]benzoic acid
Openeye Name:2-[(5-cyano-2-fluoro-phenyl)methylsulfanyl]benzoic acid
CAS Name:2-[(5-cyano-2-fluorophenyl)methylthio]benzoic acid
IUPAC Name:2-[(5-cyano-2-fluorophenyl)methylsulfanyl]benzoic acid
Traditional Name:2-[(5-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=CC(=C2)C#N)F


Isomeric SMILES

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


InChI

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


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