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

Systemtic Name: 4-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-(2-chloro-4-methylsulfonyl-benzoyl)-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-(2-chloro-4-methylsulfonylbenzoyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-(2-chloro-4-mesyl-benzoyl)-2-ethyl-3-pyrazolin-3-one Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O4S/c1-3-16-13(18)10(7-15-16)12(17)9-5-4-8(6-11(9)14)21(2,19)20/h4-7,15H,3H2,1-2H3