5-(1H-benzimidazol-2-ylsulfanyl)-8-nitro-isoquinoline

Systemtic Name: 5-(1H-benzimidazol-2-ylsulfanyl)-8-nitro-isoquinoline Openeye Name: 5-(1H-benzimidazol-2-ylsulfanyl)-8-nitro-isoquinoline CAS Name: 5-(1H-benzimidazol-2-ylthio)-8-nitroisoquinoline IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanyl)-8-nitroisoquinoline Traditional Name: 5-(1H-benzimidazol-2-ylthio)-8-nitro-isoquinoline Formula: C16H10N4O2S MolecularWeight: 322.3412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O2S/c21-20(22)14-5-6-15(10-7-8-17-9-11(10)14)23-16-18-12-3-1-2-4-13(12)19-16/h1-9H,(H,18,19)