3-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-pyridazin-6-one Openeye Name: 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-pyridazin-6-one CAS Name: 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-pyridazin-6-one IUPAC Name: 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-pyridazin-6-one Traditional Name: 3-[2-fluoro-3-(trifluoromethyl)benzyl]sulfonyl-1H-pyridazin-6-one Formula: C12H8F4N2O3S MolecularWeight: 336.262133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8F4N2O3S/c13-11-7(2-1-3-8(11)12(14,15)16)6-22(20,21)10-5-4-9(19)17-18-10/h1-5H,6H2,(H,17,19)