3-methyl-4-nitro-N-[(E)-thiolan-3-ylideneamino]benzamide

Systemtic Name: 3-methyl-4-nitro-N-[(E)-thiolan-3-ylideneamino]benzamide Openeye Name: 3-methyl-4-nitro-N-[(E)-tetrahydrothiophen-3-ylideneamino]benzamide CAS Name: 3-methyl-4-nitro-N-[(E)-3-thiolanylideneamino]benzamide IUPAC Name: 3-methyl-4-nitro-N-[(E)-thiolan-3-ylideneamino]benzamide Traditional Name: 3-methyl-4-nitro-N-[(E)-tetrahydrothiophen-3-ylideneamino]benzamide Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NN=C2CCSC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N/N=C/2\CCSC2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3S/c1-8-6-9(2-3-11(8)15(17)18)12(16)14-13-10-4-5-19-7-10/h2-3,6H,4-5,7H2,1H3,(H,14,16)/b13-10+