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

Systemtic Name: 1-bromanyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 1-bromo-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 1-bromo-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 1-bromo-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 1-bromo-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C8H12BrN3O MolecularWeight: 246.10438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12BrN3O/c1-8(2,3)6(13)7(9)12-5-10-4-11-12/h4-5,7H,1-3H3