2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(3-nitrophenyl)ethanamide Openeye Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(3-nitrophenyl)acetamide CAS Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)-N-(3-nitrophenyl)acetamide IUPAC Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(3-nitrophenyl)acetamide Traditional Name: 2-(2-imidazolin-1-ium-2-ylthio)-N-(3-nitrophenyl)acetamide Formula: C11H13N4O3S+ MolecularWeight: 281.31092

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+]=C(N1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O3S/c16-10(7-19-11-12-4-5-13-11)14-8-2-1-3-9(6-8)15(17)18/h1-3,6H,4-5,7H2,(H,12,13)(H,14,16)/p+1