2-[(2-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(2-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(2-bromo-4-fluorophenyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(2-bromo-4-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=C(C=C2)F)Br)C(=O)[O-]

Isomeric SMILES

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

InChI

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