2-[4-(8-nitroisoquinolin-5-yl)oxyphenyl]-1,3-benzothiazole

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)oxyphenyl]-1,3-benzothiazole Openeye Name: 2-[4-[(8-nitro-5-isoquinolyl)oxy]phenyl]-1,3-benzothiazole CAS Name: 2-[4-[(8-nitro-5-isoquinolinyl)oxy]phenyl]-1,3-benzothiazole IUPAC Name: 2-[4-(8-nitroisoquinolin-5-yl)oxyphenyl]-1,3-benzothiazole Traditional Name: 2-[4-[(8-nitro-5-isoquinolyl)oxy]phenyl]-1,3-benzothiazole Formula: C22H13N3O3S MolecularWeight: 399.42192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OC4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OC4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O3S/c26-25(27)19-9-10-20(16-11-12-23-13-17(16)19)28-15-7-5-14(6-8-15)22-24-18-3-1-2-4-21(18)29-22/h1-13H