2-methyl-3,5-dinitro-N-(2-oxidanylidenethiolan-3-yl)benzamide

Systemtic Name: 2-methyl-3,5-dinitro-N-(2-oxidanylidenethiolan-3-yl)benzamide Openeye Name: 2-methyl-3,5-dinitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide CAS Name: 2-methyl-3,5-dinitro-N-(2-oxo-3-thiolanyl)benzamide IUPAC Name: 2-methyl-3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide Traditional Name: N-(2-ketotetrahydrothiophen-3-yl)-2-methyl-3,5-dinitro-benzamide Formula: C12H11N3O6S MolecularWeight: 325.29724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2CCSC2=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2CCSC2=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O6S/c1-6-8(11(16)13-9-2-3-22-12(9)17)4-7(14(18)19)5-10(6)15(20)21/h4-5,9H,2-3H2,1H3,(H,13,16)