tert-butyl 5-azanyl-1-(4-sulfamoylphenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: tert-butyl 5-azanyl-1-(4-sulfamoylphenyl)-1,2,3-triazole-4-carboxylate Openeye Name: tert-butyl 5-amino-1-(4-sulfamoylphenyl)triazole-4-carboxylate CAS Name: 5-amino-1-(4-sulfamoylphenyl)-4-triazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-1-(4-sulfamoylphenyl)triazole-4-carboxylate Traditional Name: 5-amino-1-(4-sulfamoylphenyl)triazole-4-carboxylic acid tert-butyl ester Formula: C13H17N5O4S MolecularWeight: 339.37018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)S(=O)(=O)N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)S(=O)(=O)N)N

InChI

InChI=1S/C13H17N5O4S/c1-13(2,3)22-12(19)10-11(14)18(17-16-10)8-4-6-9(7-5-8)23(15,20)21/h4-7H,14H2,1-3H3,(H2,15,20,21)