1-[3,5-bis(chloranyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[3,5-bis(chloranyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-(3,5-dichloro-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one CAS Name: 1-(3,5-dichloro-1,2,4-triazol-1-yl)-3,3-dimethyl-2-butanone IUPAC Name: 1-(3,5-dichloro-1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one Traditional Name: 1-(3,5-dichloro-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one Formula: C8H11Cl2N3O MolecularWeight: 236.09844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=NC(=N1)Cl)Cl

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=NC(=N1)Cl)Cl

InChI

InChI=1S/C8H11Cl2N3O/c1-8(2,3)5(14)4-13-7(10)11-6(9)12-13/h4H2,1-3H3