cyanomethyl 2-(2,1,3-benzothiadiazol-5-ylamino)pyridine-3-carboxylate

Systemtic Name: cyanomethyl 2-(2,1,3-benzothiadiazol-5-ylamino)pyridine-3-carboxylate Openeye Name: cyanomethyl 2-(2,1,3-benzothiadiazol-5-ylamino)pyridine-3-carboxylate CAS Name: 2-(2,1,3-benzothiadiazol-5-ylamino)-3-pyridinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(2,1,3-benzothiadiazol-5-ylamino)pyridine-3-carboxylate Traditional Name: 2-(piazthiol-5-ylamino)nicotinic acid cyanomethyl ester Formula: C14H9N5O2S MolecularWeight: 311.31856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NC2=CC3=NSN=C3C=C2)C(=O)OCC#N

Isomeric SMILES

C1=CC(=C(N=C1)NC2=CC3=NSN=C3C=C2)C(=O)OCC#N

InChI

InChI=1S/C14H9N5O2S/c15-5-7-21-14(20)10-2-1-6-16-13(10)17-9-3-4-11-12(8-9)19-22-18-11/h1-4,6,8H,7H2,(H,16,17)