2-[3-[bis(fluoranyl)methylsulfanyl]phenyl]-1,5-dimethyl-pyrazol-3-one

Systemtic Name: 2-[3-[bis(fluoranyl)methylsulfanyl]phenyl]-1,5-dimethyl-pyrazol-3-one Openeye Name: 2-[3-(difluoromethylsulfanyl)phenyl]-1,5-dimethyl-pyrazol-3-one CAS Name: 2-[3-(difluoromethylthio)phenyl]-1,5-dimethyl-3-pyrazolone IUPAC Name: 2-[3-(difluoromethylsulfanyl)phenyl]-1,5-dimethylpyrazol-3-one Traditional Name: 2-[3-(difluoromethylthio)phenyl]-1,5-dimethyl-3-pyrazolin-3-one Formula: C12H12F2N2OS MolecularWeight: 270.298286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC(=CC=C2)SC(F)F

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC(=CC=C2)SC(F)F

InChI

InChI=1S/C12H12F2N2OS/c1-8-6-11(17)16(15(8)2)9-4-3-5-10(7-9)18-12(13)14/h3-7,12H,1-2H3