ethyl 1-(2,4-dichlorophenyl)-5-(4-nitrophenyl)-4-(phenylsulfonyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(2,4-dichlorophenyl)-5-(4-nitrophenyl)-4-(phenylsulfonyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-(benzenesulfonyl)-1-(2,4-dichlorophenyl)-5-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-(benzenesulfonyl)-1-(2,4-dichlorophenyl)-5-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonyl)-1-(2,4-dichlorophenyl)-5-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-besyl-1-(2,4-dichlorophenyl)-5-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C24H17Cl2N3O6S MolecularWeight: 546.37928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H17Cl2N3O6S/c1-2-35-24(30)21-23(36(33,34)18-6-4-3-5-7-18)22(15-8-11-17(12-9-15)29(31)32)28(27-21)20-13-10-16(25)14-19(20)26/h3-14H,2H2,1H3