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

Systemtic Name: 2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(4-cyano-2-fluorophenyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(4-cyano-2-fluorophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-cyano-2-fluoro-benzyl)thio]nicotinate Formula: C14H8FN2O2S- MolecularWeight: 287.288923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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