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

Systemtic Name: 4-(2-chloranyl-3-methyl-4-methylsulfonyl-phenyl)carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-(2-chloro-3-methyl-4-methylsulfonyl-benzoyl)-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[(2-chloro-3-methyl-4-methylsulfonylphenyl)-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-(2-chloro-3-methyl-4-methylsulfonylbenzoyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-(2-chloro-4-mesyl-3-methyl-benzoyl)-2-ethyl-3-pyrazolin-3-one Formula: C14H15ClN2O4S MolecularWeight: 342.7979

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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2O4S/c1-4-17-14(19)10(7-16-17)13(18)9-5-6-11(22(3,20)21)8(2)12(9)15/h5-7,16H,4H2,1-3H3