ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(4-bromophenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(4-bromophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-bromophenyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-bromophenyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-bromophenyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-(4-bromophenyl)triazole-4-carboxylic acid ethyl ester Formula: C13H11BrN6O3 MolecularWeight: 379.16884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C13H11BrN6O3/c1-2-22-13(21)9-10(7-3-5-8(14)6-4-7)20(19-16-9)12-11(15)17-23-18-12/h3-6H,2H2,1H3,(H2,15,17)