2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-2-imidazolin-1-ium Formula: C11H14N3O3S+ MolecularWeight: 268.31216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O3S/c1-17-10-3-2-8(6-9(10)14(15)16)7-18-11-12-4-5-13-11/h2-3,6H,4-5,7H2,1H3,(H,12,13)/p+1