2-[3,5-bis(bromanyl)-1,2,4-triazol-1-yl]-1-(4-tert-butylphenyl)ethanone

Systemtic Name: 2-[3,5-bis(bromanyl)-1,2,4-triazol-1-yl]-1-(4-tert-butylphenyl)ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(4-tert-butylphenyl)-2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-(3,5-dibromo-1,2,4-triazol-1-yl)ethanone Formula: C14H15Br2N3O MolecularWeight: 401.0964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CN2C(=NC(=N2)Br)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CN2C(=NC(=N2)Br)Br

InChI

InChI=1S/C14H15Br2N3O/c1-14(2,3)10-6-4-9(5-7-10)11(20)8-19-13(16)17-12(15)18-19/h4-7H,8H2,1-3H3