4,7-bis(2-pyridin-4-ylethynyl)-2,1,3-benzothiadiazole

Systemtic Name: 4,7-bis(2-pyridin-4-ylethynyl)-2,1,3-benzothiadiazole Openeye Name: 4,7-bis[2-(4-pyridyl)ethynyl]-2,1,3-benzothiadiazole CAS Name: 4,7-bis(2-pyridin-4-ylethynyl)-2,1,3-benzothiadiazole IUPAC Name: 4,7-bis(2-pyridin-4-ylethynyl)-2,1,3-benzothiadiazole Traditional Name: 4,7-bis[2-(4-pyridyl)ethynyl]piazthiole Formula: C20H10N4S MolecularWeight: 338.3852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C#CC2=CC=C(C3=NSN=C23)C#CC4=CC=NC=C4

Isomeric SMILES

C1=CN=CC=C1C#CC2=CC=C(C3=NSN=C23)C#CC4=CC=NC=C4

InChI

InChI=1S/C20H10N4S/c1(15-7-11-21-12-8-15)3-17-5-6-18(20-19(17)23-25-24-20)4-2-16-9-13-22-14-10-16/h5-14H