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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-methyl-1,1-dioxo-thiolan-3-yl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(3-methyl-1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide Traditional Name: N-(1,1-diketo-3-methyl-thiolan-3-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C12H18N4O5S MolecularWeight: 330.36012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2(CCS(=O)(=O)C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2(CCS(=O)(=O)C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O5S/c1-8-11(16(18)19)9(2)15(14-8)6-10(17)13-12(3)4-5-22(20,21)7-12/h4-7H2,1-3H3,(H,13,17)