4-(2-hydroxyethyl)-2-(4-iodophenyl)sulfonyl-3-methyl-1H-pyrazol-5-one

Systemtic Name: 4-(2-hydroxyethyl)-2-(4-iodophenyl)sulfonyl-3-methyl-1H-pyrazol-5-one Openeye Name: 4-(2-hydroxyethyl)-2-(4-iodophenyl)sulfonyl-3-methyl-1H-pyrazol-5-one CAS Name: 4-(2-hydroxyethyl)-2-(4-iodophenyl)sulfonyl-3-methyl-1H-pyrazol-5-one IUPAC Name: 4-(2-hydroxyethyl)-2-(4-iodophenyl)sulfonyl-3-methyl-1H-pyrazol-5-one Traditional Name: 4-(2-hydroxyethyl)-1-(4-iodophenyl)sulfonyl-5-methyl-3-pyrazolin-3-one Formula: C12H13IN2O4S MolecularWeight: 408.21209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1S(=O)(=O)C2=CC=C(C=C2)I)CCO

Isomeric SMILES

CC1=C(C(=O)NN1S(=O)(=O)C2=CC=C(C=C2)I)CCO

InChI

InChI=1S/C12H13IN2O4S/c1-8-11(6-7-16)12(17)14-15(8)20(18,19)10-4-2-9(13)3-5-10/h2-5,16H,6-7H2,1H3,(H,14,17)