2-tert-butyl-4-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-5-(2,4-dichlorophenyl)-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-4-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-5-(2,4-dichlorophenyl)-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-(2-chloro-4-methylsulfonyl-benzoyl)-5-(2,4-dichlorophenyl)-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-5-(2,4-dichlorophenyl)-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-(2-chloro-4-methylsulfonylbenzoyl)-5-(2,4-dichlorophenyl)-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-(2-chloro-4-mesyl-benzoyl)-5-(2,4-dichlorophenyl)-3-pyrazolin-3-one Formula: C21H19Cl3N2O4S MolecularWeight: 501.81056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl3N2O4S/c1-21(2,3)26-20(28)17(18(25-26)13-7-5-11(22)9-15(13)23)19(27)14-8-6-12(10-16(14)24)31(4,29)30/h5-10,25H,1-4H3