4-(4-fluorophenyl)-2-(3-methylbut-2-enyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 4-(4-fluorophenyl)-2-(3-methylbut-2-enyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 4-(4-fluorophenyl)-2-(3-methylbut-2-enyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-(4-fluorophenyl)-2-(3-methylbut-2-enyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 4-(4-fluorophenyl)-2-(3-methylbut-2-enyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-5-(4-mesylphenyl)-2-(3-methylbut-2-enyl)pyridazin-3-one Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C(=O)C(=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC(=CCN1C(=O)C(=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H21FN2O3S/c1-15(2)12-13-25-22(26)21(17-4-8-18(23)9-5-17)20(14-24-25)16-6-10-19(11-7-16)29(3,27)28/h4-12,14H,13H2,1-3H3