| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C20H13F6N3O2S/c1-18(10-28,11-31-16-8-12(9-27)2-7-15(16)19(21,22)23)29-17(30)13-3-5-14(6-4-13)32-20(24,25)26/h2-8H,11H2,1H3,(H,29,30)/t18-/m0/s1 |
| InChIKey | InChI | 1.06 | WTERNLDOAPYGJD-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@](COc1cc(ccc1C(F)(F)F)C#N)(NC(=O)c2ccc(SC(F)(F)F)cc2)C#N |
| SMILES | CACTVS | 3.385 | C[C](COc1cc(ccc1C(F)(F)F)C#N)(NC(=O)c2ccc(SC(F)(F)F)cc2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@](COc1cc(ccc1C(F)(F)F)C#N)(C#N)NC(=O)c2ccc(cc2)SC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(COc1cc(ccc1C(F)(F)F)C#N)(C#N)NC(=O)c2ccc(cc2)SC(F)(F)F |
