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

Systemtic Name: 4-(4-fluorophenyl)-2-(2-methylprop-2-enyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 4-(4-fluorophenyl)-2-(2-methylallyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-(4-fluorophenyl)-2-(2-methylprop-2-enyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 4-(4-fluorophenyl)-2-(2-methylprop-2-enyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-5-(4-mesylphenyl)-2-(2-methylallyl)pyridazin-3-one Formula: C21H19FN2O3S MolecularWeight: 398.450563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2O3S/c1-14(2)13-24-21(25)20(16-4-8-17(22)9-5-16)19(12-23-24)15-6-10-18(11-7-15)28(3,26)27/h4-12H,1,13H2,2-3H3