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2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carboxylic acid

2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name:2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carboxylic acid
Openeye Name:2-[(5-cyano-2-fluoro-phenyl)methylsulfanyl]pyridine-3-carboxylic acid
CAS Name:2-[(5-cyano-2-fluorophenyl)methylthio]-3-pyridinecarboxylic acid
IUPAC Name:2-[(5-cyano-2-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
Traditional Name:2-[(5-cyano-2-fluoro-benzyl)thio]nicotinic acid
Formula: C14H9FN2O2S
MolecularWeight: 288.296863
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H9FN2O2S/c15-12-4-3-9(7-16)6-10(12)8-20-13-11(14(18)19)2-1-5-17-13/h1-6H,8H2,(H,18,19)


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