diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate; 4-[3-(2-methoxyethylamino)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate; 4-[3-(2-methoxyethylamino)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate; 4-[3-(2-methoxyethylamino)-2-methyl-4-methylsulfonyl-benzoyl]-2,5-dimethyl-1H-pyrazol-3-one CAS Name: 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylic acid diethyl ester; 4-[[3-(2-methoxyethylamino)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate; 4-[3-(2-methoxyethylamino)-2-methyl-4-methylsulfonylbenzoyl]-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: 1-(2,4-dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylic acid diethyl ester; 4-[4-mesyl-3-(2-methoxyethylamino)-2-methyl-benzoyl]-2,5-dimethyl-3-pyrazolin-3-one Formula: C33H41Cl2N5O9S MolecularWeight: 754.67774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)(C)C(=O)OCC)C2=C(C=C(C=C2)Cl)Cl.CC1=C(C=CC(=C1NCCOC)S(=O)(=O)C)C(=O)C2=C(NN(C2=O)C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(C1)(C)C(=O)OCC)C2=C(C=C(C=C2)Cl)Cl.CC1=C(C=CC(=C1NCCOC)S(=O)(=O)C)C(=O)C2=C(NN(C2=O)C)C

InChI

InChI=1S/C17H23N3O5S.C16H18Cl2N2O4/c1-10-12(16(21)14-11(2)19-20(3)17(14)22)6-7-13(26(5,23)24)15(10)18-8-9-25-4;1-4-23-14(21)12-9-16(3,15(22)24-5-2)20(19-12)13-7-6-10(17)8-11(13)18/h6-7,18-19H,8-9H2,1-5H3;6-8H,4-5,9H2,1-3H3