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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C11H16N4O5S MolecularWeight: 316.33354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2CCS(=O)(=O)C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N[C@H]2CCS(=O)(=O)C2)C)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O5S/c1-7-11(15(17)18)8(2)14(13-7)5-10(16)12-9-3-4-21(19,20)6-9/h9H,3-6H2,1-2H3,(H,12,16)/t9-/m0/s1