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

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 2-[(5-cyano-2-fluoro-phenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-cyano-2-fluorophenyl)methylthio]-3-pyridinecarboxylic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 2-[(5-cyano-2-fluorophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-cyano-2-fluoro-benzyl)thio]nicotinic acid (5-cyano-2-fluoro-benzyl) ester Formula: C22H13F2N3O2S MolecularWeight: 421.419326

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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)OCC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=C(C=CC(=C2)C#N)F)C(=O)OCC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C22H13F2N3O2S/c23-19-5-3-14(10-25)8-16(19)12-29-22(28)18-2-1-7-27-21(18)30-13-17-9-15(11-26)4-6-20(17)24/h1-9H,12-13H2