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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(1,1-dioxo-3-thiolanyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide Traditional Name: N-(1,1-diketothiolan-3-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3CCS(=O)(=O)C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3CCS(=O)(=O)C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c1-11-16(21(23)24)12(2)20(19-11)9-13-3-5-14(6-4-13)17(22)18-15-7-8-27(25,26)10-15/h3-6,15H,7-10H2,1-2H3,(H,18,22)