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

Systemtic Name: 2-(2-methylprop-2-enyl)-5-(4-methylsulfonylphenyl)-4-phenyl-pyridazin-3-one Openeye Name: 2-(2-methylallyl)-5-(4-methylsulfonylphenyl)-4-phenyl-pyridazin-3-one CAS Name: 2-(2-methylprop-2-enyl)-5-(4-methylsulfonylphenyl)-4-phenyl-3-pyridazinone IUPAC Name: 2-(2-methylprop-2-enyl)-5-(4-methylsulfonylphenyl)-4-phenylpyridazin-3-one Traditional Name: 5-(4-mesylphenyl)-2-(2-methylallyl)-4-phenyl-pyridazin-3-one Formula: C21H20N2O3S MolecularWeight: 380.4601

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-15(2)14-23-21(24)20(17-7-5-4-6-8-17)19(13-22-23)16-9-11-18(12-10-16)27(3,25)26/h4-13H,1,14H2,2-3H3