4-(4-fluorophenyl)-2-(2-methylpropyl)-5-(3-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 4-(4-fluorophenyl)-2-(2-methylpropyl)-5-(3-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 4-(4-fluorophenyl)-2-isobutyl-5-(3-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-(4-fluorophenyl)-2-(2-methylpropyl)-5-(3-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 4-(4-fluorophenyl)-2-(2-methylpropyl)-5-(3-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-2-isobutyl-5-(3-mesylphenyl)pyridazin-3-one Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H21FN2O3S/c1-14(2)13-24-21(25)20(15-7-9-17(22)10-8-15)19(12-23-24)16-5-4-6-18(11-16)28(3,26)27/h4-12,14H,13H2,1-3H3