N-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(3-allylimidazol-3-ium-1-yl)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(3-prop-2-enyl-1-imidazol-3-iumyl)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(3-allylimidazol-3-ium-1-yl)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C20H16N7O2S2+ MolecularWeight: 450.51674

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C=CC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C20H16N7O2S2/c1-2-10-26-11-12-27(13-26)20-19(21-14-6-3-4-7-15(14)22-20)25-31(28,29)17-9-5-8-16-18(17)24-30-23-16/h2-9,11-13H,1,10H2,(H,21,25)/q+1