(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H11F2N3O3S MolecularWeight: 327.306546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=C(N=CC=C1)SC(F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C(N=CC=C1)SC(F)F

InChI

InChI=1S/C13H11F2N3O3S/c1-7(17)9(5-16)10(19)6-21-12(20)8-3-2-4-18-11(8)22-13(14)15/h2-4,9,13,17H,6H2,1H3