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

Systemtic Name: 2-[(4-ethoxy-3-nitro-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium Openeye Name: 2-[(4-ethoxy-3-nitro-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium CAS Name: 2-[(4-ethoxy-3-nitrophenyl)methylthio]-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: 2-[(4-ethoxy-3-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium Traditional Name: 2-[(4-ethoxy-3-nitro-benzyl)thio]-2-imidazolin-1-ium Formula: C12H16N3O3S+ MolecularWeight: 282.33874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC2=[NH+]CCN2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC2=[NH+]CCN2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O3S/c1-2-18-11-4-3-9(7-10(11)15(16)17)8-19-12-13-5-6-14-12/h3-4,7H,2,5-6,8H2,1H3,(H,13,14)/p+1