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

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-N-methyl-3-nitro-benzamide Openeye Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-N-methyl-3-nitro-benzamide CAS Name: N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-N-methyl-3-nitrobenzamide IUPAC Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-3-nitrobenzamide Traditional Name: N-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-N-methyl-3-nitro-benzamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-12-17(13(2)21(19-12)16-7-8-28(26,27)11-16)10-20(3)18(23)14-5-4-6-15(9-14)22(24)25/h4-6,9,16H,7-8,10-11H2,1-3H3