| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC)c4ccccc4Sc2ccc3c(\C=C\c1ncccc1)nnc3c2 |
| InChI | InChI | 1.06 | InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ |
| InChIKey | InChI | 1.06 | RITAVMQDGBJQJZ-FMIVXFBMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1ccccc1Sc2ccc3c([nH]nc3\C=C\c4ccccn4)c2 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1ccccc1Sc2ccc3c([nH]nc3C=Cc4ccccn4)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3C=Cc4ccccn4 |
