ethyl 5-oxidanylidene-1-phenyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl]-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-1-phenyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl]-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-oxo-1-phenyl-4-[4-(pyrimidin-2-ylsulfamoyl)phenyl]azo-4H-pyrazole-3-carboxylate CAS Name: 5-oxo-1-phenyl-4-[4-(2-pyrimidinylsulfamoyl)phenyl]azo-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-oxo-1-phenyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl]-4H-pyrazole-3-carboxylate Traditional Name: 5-keto-1-phenyl-4-[4-(2-pyrimidylsulfamoyl)phenyl]azo-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C22H19N7O5S MolecularWeight: 493.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N7O5S/c1-2-34-21(31)19-18(20(30)29(27-19)16-7-4-3-5-8-16)26-25-15-9-11-17(12-10-15)35(32,33)28-22-23-13-6-14-24-22/h3-14,18H,2H2,1H3,(H,23,24,28)