2-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-5-(3-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-5-(3-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-5-(3-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-5-(3-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-5-(3-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-5-(3-mesylphenyl)-2-neopentyl-pyridazin-3-one Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=O)C(=C(C=N1)C2=CC(=CC=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)CN1C(=O)C(=C(C=N1)C2=CC(=CC=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O3S/c1-22(2,3)14-25-21(26)20(15-8-10-17(23)11-9-15)19(13-24-25)16-6-5-7-18(12-16)29(4,27)28/h5-13H,14H2,1-4H3