3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-pyridazin-6-one Openeye Name: 3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-pyridazin-6-one CAS Name: 3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-pyridazin-6-one IUPAC Name: 3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-pyridazin-6-one Traditional Name: 3-[3-(trifluoromethyl)benzyl]sulfonyl-1H-pyridazin-6-one Formula: C12H9F3N2O3S MolecularWeight: 318.27167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)C2=NNC(=O)C=C2

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)C2=NNC(=O)C=C2

InChI

InChI=1S/C12H9F3N2O3S/c13-12(14,15)9-3-1-2-8(6-9)7-21(19,20)11-5-4-10(18)16-17-11/h1-6H,7H2,(H,16,18)