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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium CAS Name: 2-[(3-nitrophenyl)methylthio]-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium Traditional Name: 2-[(3-nitrobenzyl)thio]-2-imidazolin-1-ium Formula: C10H12N3O2S+ MolecularWeight: 238.28618

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+]=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O2S/c14-13(15)9-3-1-2-8(6-9)7-16-10-11-4-5-12-10/h1-3,6H,4-5,7H2,(H,11,12)/p+1