ethyl 1-(3-aminophenyl)-5-phenyl-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-aminophenyl)-5-phenyl-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-aminophenyl)-5-phenyl-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazole-4-carboxylate CAS Name: 1-(3-aminophenyl)-3-[oxo-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]methyl]-5-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-aminophenyl)-5-phenyl-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazole-4-carboxylate Traditional Name: 1-(3-aminophenyl)-5-phenyl-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H19N7O5S2 MolecularWeight: 513.54946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)NC2=NN=C(S2)S(=O)(=O)N)C3=CC(=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)NC2=NN=C(S2)S(=O)(=O)N)C3=CC(=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H19N7O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-6-9-13(22)11-14)17(15)12-7-4-3-5-8-12/h3-11H,2,22H2,1H3,(H2,23,31,32)(H,24,25,29)