1-(3,5-dimethylpyrazol-1-yl)-3-iodanyl-prop-2-yn-1-one

Systemtic Name: 1-(3,5-dimethylpyrazol-1-yl)-3-iodanyl-prop-2-yn-1-one Openeye Name: 1-(3,5-dimethylpyrazol-1-yl)-3-iodo-prop-2-yn-1-one CAS Name: 1-(3,5-dimethyl-1-pyrazolyl)-3-iodo-2-propyn-1-one IUPAC Name: 1-(3,5-dimethylpyrazol-1-yl)-3-iodoprop-2-yn-1-one Traditional Name: 1-(3,5-dimethylpyrazol-1-yl)-3-iodo-prop-2-yn-1-one Formula: C8H7IN2O MolecularWeight: 274.05845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C#CI)C

Isomeric SMILES

CC1=CC(=NN1C(=O)C#CI)C

InChI

InChI=1S/C8H7IN2O/c1-6-5-7(2)11(10-6)8(12)3-4-9/h5H,1-2H3