1-[3,5-bis(bromanyl)-1,2,4-triazol-1-yl]propan-2-one

Systemtic Name: 1-[3,5-bis(bromanyl)-1,2,4-triazol-1-yl]propan-2-one Openeye Name: 1-(3,5-dibromo-1,2,4-triazol-1-yl)propan-2-one CAS Name: 1-(3,5-dibromo-1,2,4-triazol-1-yl)-2-propanone IUPAC Name: 1-(3,5-dibromo-1,2,4-triazol-1-yl)propan-2-one Traditional Name: 1-(3,5-dibromo-1,2,4-triazol-1-yl)acetone Formula: C5H5Br2N3O MolecularWeight: 282.9207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC(=N1)Br)Br

Isomeric SMILES

CC(=O)CN1C(=NC(=N1)Br)Br

InChI

InChI=1S/C5H5Br2N3O/c1-3(11)2-10-5(7)8-4(6)9-10/h2H2,1H3