2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(4-fluorophenyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-fluorobenzyl)thio]nicotinate Formula: C13H9FNO2S- MolecularWeight: 262.279463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10FNO2S/c14-10-5-3-9(4-6-10)8-18-12-11(13(16)17)2-1-7-15-12/h1-7H,8H2,(H,16,17)/p-1