2-ethyl-4-(3-iodanyl-2-methyl-4-methylsulfonyl-phenyl)carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-(3-iodanyl-2-methyl-4-methylsulfonyl-phenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-(3-iodo-2-methyl-4-methylsulfonyl-benzoyl)-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[(3-iodo-2-methyl-4-methylsulfonylphenyl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-(3-iodo-2-methyl-4-methylsulfonylbenzoyl)-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-(3-iodo-4-mesyl-2-methyl-benzoyl)-3-pyrazolin-3-one Formula: C14H15IN2O4S MolecularWeight: 434.24937

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)I)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)I)C

InChI

InChI=1S/C14H15IN2O4S/c1-4-17-14(19)10(7-16-17)13(18)9-5-6-11(22(3,20)21)12(15)8(9)2/h5-7,16H,4H2,1-3H3