1-bromanyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)pentan-2-one

Systemtic Name: 1-bromanyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)pentan-2-one Openeye Name: 1-bromo-3,3-dimethyl-1-(1,2,4-triazol-1-yl)pentan-2-one CAS Name: 1-bromo-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-pentanone IUPAC Name: 1-bromo-3,3-dimethyl-1-(1,2,4-triazol-1-yl)pentan-2-one Traditional Name: 1-bromo-3,3-dimethyl-1-(1,2,4-triazol-1-yl)pentan-2-one Formula: C9H14BrN3O MolecularWeight: 260.13096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(N1C=NC=N1)Br

Isomeric SMILES

CCC(C)(C)C(=O)C(N1C=NC=N1)Br

InChI

InChI=1S/C9H14BrN3O/c1-4-9(2,3)7(14)8(10)13-6-11-5-12-13/h5-6,8H,4H2,1-3H3