7-(2-phenylquinazolin-4-yl)sulfanyl-3H-imidazo[4,5-e][2,1,3]benzothiadiazole

Systemtic Name: 7-(2-phenylquinazolin-4-yl)sulfanyl-3H-imidazo[4,5-e][2,1,3]benzothiadiazole Openeye Name: 7-(2-phenylquinazolin-4-yl)sulfanyl-3H-imidazo[4,5-e][2,1,3]benzothiadiazole CAS Name: 7-[(2-phenyl-4-quinazolinyl)thio]-3H-imidazo[4,5-e][2,1,3]benzothiadiazole IUPAC Name: 7-(2-phenylquinazolin-4-yl)sulfanyl-3H-imidazo[4,5-e][2,1,3]benzothiadiazole Traditional Name: 7-[(2-phenylquinazolin-4-yl)thio]-3H-imidazo[4,5-e][2,1,3]benzothiadiazole Formula: C21H12N6S2 MolecularWeight: 412.49018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SC4=NC5=CC=C6C(=NSN6)C5=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SC4=NC5=CC=C6C(=NSN6)C5=N4

InChI

InChI=1S/C21H12N6S2/c1-2-6-12(7-3-1)19-22-14-9-5-4-8-13(14)20(25-19)28-21-23-15-10-11-16-18(17(15)24-21)27-29-26-16/h1-11,26H