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

Systemtic Name: 4,7-bis[2-[1-(phenylmethyl)pyridin-1-ium-3-yl]ethynyl]-2,1,3-benzothiadiazole Openeye Name: 4,7-bis[2-(1-benzylpyridin-1-ium-3-yl)ethynyl]-2,1,3-benzothiadiazole CAS Name: 4,7-bis[2-[1-(phenylmethyl)-3-pyridin-1-iumyl]ethynyl]-2,1,3-benzothiadiazole IUPAC Name: 4,7-bis[2-(1-benzylpyridin-1-ium-3-yl)ethynyl]-2,1,3-benzothiadiazole Traditional Name: 4,7-bis[2-(1-benzylpyridin-1-ium-3-yl)ethynyl]piazthiole Formula: C34H24N4S+2 MolecularWeight: 520.64616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C#CC3=CC=C(C4=NSN=C34)C#CC5=C[N+](=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C#CC3=CC=C(C4=NSN=C34)C#CC5=C[N+](=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C34H24N4S/c1-3-9-27(10-4-1)23-37-21-7-13-29(25-37)15-17-31-19-20-32(34-33(31)35-39-36-34)18-16-30-14-8-22-38(26-30)24-28-11-5-2-6-12-28/h1-14,19-22,25-26H,23-24H2/q+2