N-[2-(5-azanyl-4-cyano-pyrazol-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[2-(5-azanyl-4-cyano-pyrazol-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[2-(5-amino-4-cyano-1-pyrazolyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]piazthiole-4-sulfonamide Formula: C16H11N7O2S2 MolecularWeight: 397.43424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)N4C(=C(C=N4)C#N)N

Isomeric SMILES

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)N4C(=C(C=N4)C#N)N

InChI

InChI=1S/C16H11N7O2S2/c17-8-10-9-19-23(16(10)18)13-6-2-1-4-11(13)22-27(24,25)14-7-3-5-12-15(14)21-26-20-12/h1-7,9,22H,18H2