2-[3,4-bis(fluoranyl)phenyl]-4-tert-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-4-tert-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 4-tert-butyl-2-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-tert-butyl-2-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 4-tert-butyl-2-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-tert-butyl-2-(3,4-difluorophenyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C21H20F2N2O3S MolecularWeight: 418.456906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H20F2N2O3S/c1-21(2,3)19-16(13-5-8-15(9-6-13)29(4,27)28)12-24-25(20(19)26)14-7-10-17(22)18(23)11-14/h5-12H,1-4H3