2-ethyl-4-(2-methyl-4-methylsulfonyl-3-phenyl-phenyl)carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-(2-methyl-4-methylsulfonyl-3-phenyl-phenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-(2-methyl-4-methylsulfonyl-3-phenyl-benzoyl)-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[(2-methyl-4-methylsulfonyl-3-phenylphenyl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-(2-methyl-4-methylsulfonyl-3-phenylbenzoyl)-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-(4-mesyl-2-methyl-3-phenyl-benzoyl)-3-pyrazolin-3-one Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2O4S/c1-4-22-20(24)16(12-21-22)19(23)15-10-11-17(27(3,25)26)18(13(15)2)14-8-6-5-7-9-14/h5-12,21H,4H2,1-3H3