ethyl 4-[[2,6-bis(bromanyl)-4-sulfamoyl-phenyl]diazenyl]-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[[2,6-bis(bromanyl)-4-sulfamoyl-phenyl]diazenyl]-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 4-(2,6-dibromo-4-sulfamoyl-phenyl)azo-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate CAS Name: 4-(2,6-dibromo-4-sulfamoylphenyl)azo-5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,6-dibromo-4-sulfamoylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate Traditional Name: 4-(2,6-dibromo-4-sulfamoyl-phenyl)azo-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C18H15Br2N5O5S MolecularWeight: 573.2152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1N=NC2=C(C=C(C=C2Br)S(=O)(=O)N)Br)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1N=NC2=C(C=C(C=C2Br)S(=O)(=O)N)Br)C3=CC=CC=C3

InChI

InChI=1S/C18H15Br2N5O5S/c1-2-30-18(27)16-15(17(26)25(24-16)10-6-4-3-5-7-10)23-22-14-12(19)8-11(9-13(14)20)31(21,28)29/h3-9,15H,2H2,1H3,(H2,21,28,29)