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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclohexyl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-cyclohexyl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: N-cyclohexyl-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: N-cyclohexyl-N-[(3S)-1,1-diketothiolan-3-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N([C@H]2CCS(=O)(=O)C2)C3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O5S/c1-12-17(21(23)24)13(2)19(18-12)10-16(22)20(14-6-4-3-5-7-14)15-8-9-27(25,26)11-15/h14-15H,3-11H2,1-2H3/t15-/m0/s1