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

Systemtic Name: 1-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]-2-phenoxy-ethanone Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4S/c22-17(12-25-16-7-2-1-3-8-16)20-10-9-19-18(20)26-13-14-5-4-6-15(11-14)21(23)24/h1-8,11H,9-10,12-13H2