[2,3-bis(fluoranyl)phenyl]methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2,3-bis(fluoranyl)phenyl]methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: (2,3-difluorophenyl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (2,3-difluorophenyl)methyl ester IUPAC Name: (2,3-difluorophenyl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid (2,3-difluorobenzyl) ester Formula: C18H14F2N2O2S MolecularWeight: 360.377766

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3=C(C(=CC=C3)F)F)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3=C(C(=CC=C3)F)F)C#N

InChI

InChI=1S/C18H14F2N2O2S/c1-25-17-13(8-21)12(7-15(22-17)10-5-6-10)18(23)24-9-11-3-2-4-14(19)16(11)20/h2-4,7,10H,5-6,9H2,1H3