(3-cyanophenyl)methyl 4-[bis(fluoranyl)methylsulfanyl]benzoate

Systemtic Name: (3-cyanophenyl)methyl 4-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: (3-cyanophenyl)methyl 4-(difluoromethylsulfanyl)benzoate CAS Name: 4-(difluoromethylthio)benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-(difluoromethylsulfanyl)benzoate Traditional Name: 4-(difluoromethylthio)benzoic acid (3-cyanobenzyl) ester Formula: C16H11F2NO2S MolecularWeight: 319.325846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)C2=CC=C(C=C2)SC(F)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)C2=CC=C(C=C2)SC(F)F)C#N

InChI

InChI=1S/C16H11F2NO2S/c17-16(18)22-14-6-4-13(5-7-14)15(20)21-10-12-3-1-2-11(8-12)9-19/h1-8,16H,10H2