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

Systemtic Name: 4-bromanyl-7-(2-pyridin-4-ylethynyl)-2,1,3-benzothiadiazole Openeye Name: 4-bromo-7-[2-(4-pyridyl)ethynyl]-2,1,3-benzothiadiazole CAS Name: 4-bromo-7-(2-pyridin-4-ylethynyl)-2,1,3-benzothiadiazole IUPAC Name: 4-bromo-7-(2-pyridin-4-ylethynyl)-2,1,3-benzothiadiazole Traditional Name: 4-bromo-7-[2-(4-pyridyl)ethynyl]piazthiole Formula: C13H6BrN3S MolecularWeight: 316.17584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C#CC2=CC=C(C3=NSN=C23)Br

Isomeric SMILES

C1=CN=CC=C1C#CC2=CC=C(C3=NSN=C23)Br

InChI

InChI=1S/C13H6BrN3S/c14-11-4-3-10(12-13(11)17-18-16-12)2-1-9-5-7-15-8-6-9/h3-8H