| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC(F)c1cccc(c1)CSc1ncnc2[NH]cnc21 |
| InChI | InChI | 1.06 | InChI=1S/C13H10F2N4S/c14-11(15)9-3-1-2-8(4-9)5-20-13-10-12(17-6-16-10)18-7-19-13/h1-4,6-7,11H,5H2,(H,16,17,18,19) |
| InChIKey | InChI | 1.06 | LDFHABHDJCVWSS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)c1cccc(CSc2ncnc3[nH]cnc23)c1 |
| SMILES | CACTVS | 3.385 | FC(F)c1cccc(CSc2ncnc3[nH]cnc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)C(F)F)CSc2c3c([nH]cn3)ncn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)C(F)F)CSc2c3c([nH]cn3)ncn2 |
