4,7-bis[2-(1-methylpyridin-1-ium-3-yl)ethynyl]-2,1,3-benzothiadiazole

Systemtic Name: 4,7-bis[2-(1-methylpyridin-1-ium-3-yl)ethynyl]-2,1,3-benzothiadiazole Openeye Name: 4,7-bis[2-(1-methylpyridin-1-ium-3-yl)ethynyl]-2,1,3-benzothiadiazole CAS Name: 4,7-bis[2-(1-methyl-3-pyridin-1-iumyl)ethynyl]-2,1,3-benzothiadiazole IUPAC Name: 4,7-bis[2-(1-methylpyridin-1-ium-3-yl)ethynyl]-2,1,3-benzothiadiazole Traditional Name: 4,7-bis[2-(1-methylpyridin-1-ium-3-yl)ethynyl]piazthiole Formula: C22H16N4S+2 MolecularWeight: 368.45424

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C#CC2=CC=C(C3=NSN=C23)C#CC4=C[N+](=CC=C4)C

Isomeric SMILES

C[N+]1=CC=CC(=C1)C#CC2=CC=C(C3=NSN=C23)C#CC4=C[N+](=CC=C4)C

InChI

InChI=1S/C22H16N4S/c1-25-13-3-5-17(15-25)7-9-19-11-12-20(22-21(19)23-27-24-22)10-8-18-6-4-14-26(2)16-18/h3-6,11-16H,1-2H3/q+2