(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(difluoromethylsulfanyl)benzoate CAS Name: 2-(difluoromethylthio)benzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-(difluoromethylsulfanyl)benzoate Traditional Name: 2-(difluoromethylthio)benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C20H15F2N3O2S MolecularWeight: 399.413806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC=CC=C2SC(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC=CC=C2SC(F)F)C3=CC=CC=C3

InChI

InChI=1S/C20H15F2N3O2S/c1-13-16(11-23)17(25(24-13)14-7-3-2-4-8-14)12-27-19(26)15-9-5-6-10-18(15)28-20(21)22/h2-10,20H,12H2,1H3