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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2-(3-methylphenoxy)acetamide CAS Name: N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2-(3-methylphenoxy)acetamide Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C

InChI

InChI=1S/C17H21N3O4S/c1-12-4-3-5-15(8-12)24-10-17(21)18-16-9-13(2)19-20(16)14-6-7-25(22,23)11-14/h3-5,8-9,14H,6-7,10-11H2,1-2H3,(H,18,21)