1-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone

Systemtic Name: 1-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone Openeye Name: 1-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone CAS Name: 1-[2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]ethanone IUPAC Name: 1-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone Traditional Name: 1-[2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]ethanone Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN=C1SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN=C1SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

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