5-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole

Systemtic Name: 5-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[(2-imidazolin-1-ium-2-ylthio)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Formula: C12H12N5O3S+ MolecularWeight: 306.32038

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)SCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+]=C(N1)SCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O3S/c18-17(19)9-3-1-2-8(6-9)11-15-10(20-16-11)7-21-12-13-4-5-14-12/h1-3,6H,4-5,7H2,(H,13,14)/p+1