2,1,3-benzothiadiazol-4-ylsulfonyl-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide

Systemtic Name: 2,1,3-benzothiadiazol-4-ylsulfonyl-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide Openeye Name: 2,1,3-benzothiadiazol-4-ylsulfonyl-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide CAS Name: 2,1,3-benzothiadiazol-4-ylsulfonyl-[3-(3,5-dimethyl-1-pyridin-1-iumyl)-2-quinoxalinyl]azanide IUPAC Name: 2,1,3-benzothiadiazol-4-ylsulfonyl-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide Traditional Name: [3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-piazthiol-4-ylsulfonyl-azanide Formula: C21H16N6O2S2 MolecularWeight: 448.52074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CC5=NSN=C54)C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CC5=NSN=C54)C

InChI

InChI=1S/C21H16N6O2S2/c1-13-10-14(2)12-27(11-13)21-20(22-15-6-3-4-7-16(15)23-21)26-31(28,29)18-9-5-8-17-19(18)25-30-24-17/h3-12H,1-2H3