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

Systemtic Name: 2-tert-butyl-4-(3-iodanyl-2-methyl-4-methylsulfonyl-phenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-(3-iodo-2-methyl-4-methylsulfonyl-benzoyl)-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[(3-iodo-2-methyl-4-methylsulfonylphenyl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-(3-iodo-2-methyl-4-methylsulfonylbenzoyl)-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-(3-iodo-4-mesyl-2-methyl-benzoyl)-3-pyrazolin-3-one Formula: C16H19IN2O4S MolecularWeight: 462.30253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1I)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1I)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C(C)(C)C

InChI

InChI=1S/C16H19IN2O4S/c1-9-10(6-7-12(13(9)17)24(5,22)23)14(20)11-8-18-19(15(11)21)16(2,3)4/h6-8,18H,1-5H3