2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-1-(4-methoxy-3-nitro-phenyl)ethanone

Systemtic Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-1-(4-methoxy-3-nitro-phenyl)ethanone Openeye Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)-1-(4-methoxy-3-nitrophenyl)ethanone IUPAC Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-1-(4-methoxy-3-nitrophenyl)ethanone Traditional Name: 2-(2-imidazolin-1-ium-2-ylthio)-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C12H14N3O4S+ MolecularWeight: 296.32226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=[NH+]CCN2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=[NH+]CCN2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S/c1-19-11-3-2-8(6-9(11)15(17)18)10(16)7-20-12-13-4-5-14-12/h2-3,6H,4-5,7H2,1H3,(H,13,14)/p+1