2-tert-butyl-4-[2-chloranyl-3-(4-chlorophenyl)-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-4-[2-chloranyl-3-(4-chlorophenyl)-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-[2-chloro-3-(4-chlorophenyl)-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[[2-chloro-3-(4-chlorophenyl)-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[2-chloro-3-(4-chlorophenyl)-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-[2-chloro-3-(4-chlorophenyl)-4-mesyl-benzoyl]-3-pyrazolin-3-one Formula: C21H20Cl2N2O4S MolecularWeight: 467.3655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O4S/c1-21(2,3)25-20(27)15(11-24-25)19(26)14-9-10-16(30(4,28)29)17(18(14)23)12-5-7-13(22)8-6-12/h5-11,24H,1-4H3