benzotriazol-1-yl-(4-iodanyl-1-methyl-pyrazol-3-yl)methanone

Systemtic Name: benzotriazol-1-yl-(4-iodanyl-1-methyl-pyrazol-3-yl)methanone Openeye Name: benzotriazol-1-yl-(4-iodo-1-methyl-pyrazol-3-yl)methanone CAS Name: 1-benzotriazolyl-(4-iodo-1-methyl-3-pyrazolyl)methanone IUPAC Name: benzotriazol-1-yl-(4-iodo-1-methylpyrazol-3-yl)methanone Traditional Name: benzotriazol-1-yl-(4-iodo-1-methyl-pyrazol-3-yl)methanone Formula: C11H8IN5O MolecularWeight: 353.11859

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N2C3=CC=CC=C3N=N2)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N2C3=CC=CC=C3N=N2)I

InChI

InChI=1S/C11H8IN5O/c1-16-6-7(12)10(14-16)11(18)17-9-5-3-2-4-8(9)13-15-17/h2-6H,1H3