2-[3-[bis(fluoranyl)methylsulfanyl]phenyl]-5-methyl-4H-pyrazol-3-one

Systemtic Name: 2-[3-[bis(fluoranyl)methylsulfanyl]phenyl]-5-methyl-4H-pyrazol-3-one Openeye Name: 2-[3-(difluoromethylsulfanyl)phenyl]-5-methyl-4H-pyrazol-3-one CAS Name: 2-[3-(difluoromethylthio)phenyl]-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-[3-(difluoromethylsulfanyl)phenyl]-5-methyl-4H-pyrazol-3-one Traditional Name: 2-[3-(difluoromethylthio)phenyl]-5-methyl-2-pyrazolin-3-one Formula: C11H10F2N2OS MolecularWeight: 256.271706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC(=CC=C2)SC(F)F

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC(=CC=C2)SC(F)F

InChI

InChI=1S/C11H10F2N2OS/c1-7-5-10(16)15(14-7)8-3-2-4-9(6-8)17-11(12)13/h2-4,6,11H,5H2,1H3