2-(4-methyl-1,3-thiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-(4-methyl-1,3-thiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone Openeye Name: 2-(4-methylthiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone CAS Name: 2-(4-methyl-3-thiazol-3-iumyl)-1-(3-nitrophenyl)ethanone IUPAC Name: 2-(4-methyl-1,3-thiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone Traditional Name: 2-(4-methylthiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone Formula: C12H11N2O3S+ MolecularWeight: 263.29234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC=[N+]1CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC=[N+]1CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N2O3S/c1-9-7-18-8-13(9)6-12(15)10-3-2-4-11(5-10)14(16)17/h2-5,7-8H,6H2,1H3/q+1