4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-3-nitro-benzenecarbonitrile Openeye Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-3-nitro-benzonitrile CAS Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)-3-nitrobenzonitrile IUPAC Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-3-nitrobenzonitrile Traditional Name: 4-(2-imidazolin-1-ium-2-ylthio)-3-nitro-benzonitrile Formula: C10H9N4O2S+ MolecularWeight: 249.26906

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)SC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+]=C(N1)SC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O2S/c11-6-7-1-2-9(8(5-7)14(15)16)17-10-12-3-4-13-10/h1-2,5H,3-4H2,(H,12,13)/p+1