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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(difluoromethylsulfanyl)benzoate CAS Name: 2-(difluoromethylthio)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(difluoromethylsulfanyl)benzoate Traditional Name: 2-(difluoromethylthio)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H12F2N2O3S MolecularWeight: 326.318486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1SC(F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1SC(F)F

InChI

InChI=1S/C14H12F2N2O3S/c1-8(18)10(6-17)11(19)7-21-13(20)9-4-2-3-5-12(9)22-14(15)16/h2-5,10,14,18H,7H2,1H3