5-(3-methylsulfonylphenyl)-4-phenyl-2-propan-2-yl-pyridazin-3-one

Systemtic Name: 5-(3-methylsulfonylphenyl)-4-phenyl-2-propan-2-yl-pyridazin-3-one Openeye Name: 2-isopropyl-5-(3-methylsulfonylphenyl)-4-phenyl-pyridazin-3-one CAS Name: 5-(3-methylsulfonylphenyl)-4-phenyl-2-propan-2-yl-3-pyridazinone IUPAC Name: 5-(3-methylsulfonylphenyl)-4-phenyl-2-propan-2-ylpyridazin-3-one Traditional Name: 2-isopropyl-5-(3-mesylphenyl)-4-phenyl-pyridazin-3-one Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=C(C=N1)C2=CC(=CC=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=O)C(=C(C=N1)C2=CC(=CC=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-14(2)22-20(23)19(15-8-5-4-6-9-15)18(13-21-22)16-10-7-11-17(12-16)26(3,24)25/h4-14H,1-3H3