N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(2-bromanylphenoxy)ethanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(2-bromanylphenoxy)ethanamide Openeye Name: 2-(2-bromophenoxy)-N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]acetamide CAS Name: 2-(2-bromophenoxy)-N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]acetamide IUPAC Name: 2-(2-bromophenoxy)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide Traditional Name: 2-(2-bromophenoxy)-N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]acetamide Formula: C16H18BrN3O4S MolecularWeight: 428.30082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC2=CC=CC=C2Br)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC2=CC=CC=C2Br)C3CCS(=O)(=O)C3

InChI

InChI=1S/C16H18BrN3O4S/c1-11-8-15(20(19-11)12-6-7-25(22,23)10-12)18-16(21)9-24-14-5-3-2-4-13(14)17/h2-5,8,12H,6-7,9-10H2,1H3,(H,18,21)