2-(4-methoxyphenyl)-5-(8-nitroisoquinolin-5-yl)sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-(4-methoxyphenyl)-5-(8-nitroisoquinolin-5-yl)sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(4-methoxyphenyl)-5-[(8-nitro-5-isoquinolyl)sulfanyl]-1,3,4-oxadiazole CAS Name: 2-(4-methoxyphenyl)-5-[(8-nitro-5-isoquinolinyl)thio]-1,3,4-oxadiazole IUPAC Name: 2-(4-methoxyphenyl)-5-(8-nitroisoquinolin-5-yl)sulfanyl-1,3,4-oxadiazole Traditional Name: 2-(4-methoxyphenyl)-5-[(8-nitro-5-isoquinolyl)thio]-1,3,4-oxadiazole Formula: C18H12N4O4S MolecularWeight: 380.37728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(O2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(O2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O4S/c1-25-12-4-2-11(3-5-12)17-20-21-18(26-17)27-16-7-6-15(22(23)24)14-10-19-9-8-13(14)16/h2-10H,1H3