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

Systemtic Name: 2-ethyl-4-(2-methyl-3-methylsulfinyl-4-methylsulfonyl-phenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-(2-methyl-3-methylsulfinyl-4-methylsulfonyl-benzoyl)-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[(2-methyl-3-methylsulfinyl-4-methylsulfonylphenyl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-(2-methyl-3-methylsulfinyl-4-methylsulfonylbenzoyl)-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-(4-mesyl-2-methyl-3-methylsulfinyl-benzoyl)-3-pyrazolin-3-one Formula: C15H18N2O5S2 MolecularWeight: 370.44382

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)S(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5S2/c1-5-17-15(19)11(8-16-17)13(18)10-6-7-12(24(4,21)22)14(9(10)2)23(3)20/h6-8,16H,5H2,1-4H3