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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(5-methyl-2-nitro-phenoxy)ethanamide Openeye Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2-(5-methyl-2-nitro-phenoxy)acetamide CAS Name: N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]-2-(5-methyl-2-nitrophenoxy)acetamide IUPAC Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-nitrophenoxy)acetamide Traditional Name: N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2-(5-methyl-2-nitro-phenoxy)acetamide Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C

InChI

InChI=1S/C17H20N4O6S/c1-11-3-4-14(21(23)24)15(7-11)27-9-17(22)18-16-8-12(2)19-20(16)13-5-6-28(25,26)10-13/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,18,22)