1-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one

Systemtic Name: 1-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one Openeye Name: 1-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one CAS Name: 1-[2-[(4-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-1-propanone IUPAC Name: 1-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one Traditional Name: 1-[2-[(4-nitrobenzyl)thio]-2-imidazolin-1-yl]propan-1-one Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S/c1-2-12(17)15-8-7-14-13(15)20-9-10-3-5-11(6-4-10)16(18)19/h3-6H,2,7-9H2,1H3