1-(benzotriazol-1-yl)-2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanone

Systemtic Name: 1-(benzotriazol-1-yl)-2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanone Openeye Name: 1-(benzotriazol-1-yl)-2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethanone CAS Name: 1-(1-benzotriazolyl)-2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethanone IUPAC Name: 1-(benzotriazol-1-yl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone Traditional Name: 1-(benzotriazol-1-yl)-2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethanone Formula: C13H12BrN5O MolecularWeight: 334.17128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2C3=CC=CC=C3N=N2)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2C3=CC=CC=C3N=N2)C)Br

InChI

InChI=1S/C13H12BrN5O/c1-8-13(14)9(2)18(16-8)7-12(20)19-11-6-4-3-5-10(11)15-17-19/h3-6H,7H2,1-2H3