1-(3-iodanyl-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one

Systemtic Name: 1-(3-iodanyl-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one Openeye Name: 1-(3-iodo-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one CAS Name: 1-(3-iodo-1,2,4-triazol-1-yl)-3,3-dimethyl-2-butanone IUPAC Name: 1-(3-iodo-1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one Traditional Name: 1-(3-iodo-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one Formula: C8H12IN3O MolecularWeight: 293.10485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12IN3O/c1-8(2,3)6(13)4-12-5-10-7(9)11-12/h5H,4H2,1-3H3