(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(trifluoromethylsulfanyl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H11F3N2O3S MolecularWeight: 344.30895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F3N2O3S/c1-8(19)11(6-18)12(20)7-22-13(21)9-2-4-10(5-3-9)23-14(15,16)17/h2-5,11,19H,7H2,1H3