2-[(5-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(5-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(5-bromo-2-fluoro-phenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-bromo-2-fluorophenyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(5-bromo-2-fluorophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-bromo-2-fluoro-benzyl)thio]nicotinate Formula: C13H8BrFNO2S- MolecularWeight: 341.175523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrFNO2S/c14-9-3-4-11(15)8(6-9)7-19-12-10(13(17)18)2-1-5-16-12/h1-6H,7H2,(H,17,18)/p-1