4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)-2-nitro-phenolate

Systemtic Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)-2-nitro-phenolate Openeye Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)-2-nitro-phenolate CAS Name: 4-[(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)methyl]-2-nitrophenolate IUPAC Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)-2-nitrophenolate Traditional Name: 4-[(2-imidazolin-1-ium-2-ylthio)methyl]-2-nitro-phenolate Formula: C10H11N3O3S MolecularWeight: 253.27764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O3S/c14-9-2-1-7(5-8(9)13(15)16)6-17-10-11-3-4-12-10/h1-2,5,14H,3-4,6H2,(H,11,12)