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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(3-iodanylphenoxy)ethanamide Openeye Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2-(3-iodophenoxy)acetamide CAS Name: N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]-2-(3-iodophenoxy)acetamide IUPAC Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2-(3-iodophenoxy)acetamide Traditional Name: N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2-(3-iodophenoxy)acetamide Formula: C16H18IN3O4S MolecularWeight: 475.30129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC2=CC(=CC=C2)I)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC2=CC(=CC=C2)I)C3CCS(=O)(=O)C3

InChI

InChI=1S/C16H18IN3O4S/c1-11-7-15(20(19-11)13-5-6-25(22,23)10-13)18-16(21)9-24-14-4-2-3-12(17)8-14/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,21)