N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-ethyl-ethanamide

Systemtic Name: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-ethyl-ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-ethylacetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide Traditional Name: N-[(3R)-1,1-diketothiolan-3-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-ethyl-acetamide Formula: C13H20N4O5S MolecularWeight: 344.3867

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCN([C@@H]1CCS(=O)(=O)C1)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H20N4O5S/c1-4-15(11-5-6-23(21,22)8-11)12(18)7-16-10(3)13(17(19)20)9(2)14-16/h11H,4-8H2,1-3H3/t11-/m1/s1