| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H16N4O3S/c27-21(16-6-4-9-18(14-16)28-17-7-2-1-3-8-17)26-25-15-19-10-11-20(29-19)30-22-23-12-5-13-24-22/h1-15H,(H,26,27)/b25-15+ |
| InChIKey | InChI | 1.03 | ADVBODULINBOOF-MFKUBSTISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N/N=C/c1oc(Sc2ncccn2)cc1)c3cccc(Oc4ccccc4)c3 |
| SMILES | CACTVS | 3.385 | O=C(NN=Cc1oc(Sc2ncccn2)cc1)c3cccc(Oc4ccccc4)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cccc(c2)C(=O)N/N=C/c3ccc(o3)Sc4ncccn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cccc(c2)C(=O)NN=Cc3ccc(o3)Sc4ncccn4 |
