tert-butyl 4-(5-bromanylpyridin-2-yl)-5-oxidanylidene-1,2,4-triazole-1-carboxylate

Systemtic Name: tert-butyl 4-(5-bromanylpyridin-2-yl)-5-oxidanylidene-1,2,4-triazole-1-carboxylate Openeye Name: tert-butyl 4-(5-bromo-2-pyridyl)-5-oxo-1,2,4-triazole-1-carboxylate CAS Name: 4-(5-bromo-2-pyridinyl)-5-oxo-1,2,4-triazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-bromopyridin-2-yl)-5-oxo-1,2,4-triazole-1-carboxylate Traditional Name: 4-(5-bromo-2-pyridyl)-5-keto-1,2,4-triazole-1-carboxylic acid tert-butyl ester Formula: C12H13BrN4O3 MolecularWeight: 341.16062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=O)N(C=N1)C2=NC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=O)N(C=N1)C2=NC=C(C=C2)Br

InChI

InChI=1S/C12H13BrN4O3/c1-12(2,3)20-11(19)17-10(18)16(7-15-17)9-5-4-8(13)6-14-9/h4-7H,1-3H3