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

Systemtic Name: 2-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-methyl-4H-pyrazol-3-one Openeye Name: 2-[4-(difluoromethylsulfanyl)phenyl]-5-methyl-4H-pyrazol-3-one CAS Name: 2-[4-(difluoromethylthio)phenyl]-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-[4-(difluoromethylsulfanyl)phenyl]-5-methyl-4H-pyrazol-3-one Traditional Name: 2-[4-(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=C(C=C2)SC(F)F

Isomeric SMILES

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

InChI

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