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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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