| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C21H20BrN3O2S/c1-21(2,27-17-8-6-15(22)7-9-17)20(26)25-16-5-3-4-13(10-16)14-11-18(19(23)24)28-12-14/h3-12H,1-2H3,(H3,23,24)(H,25,26) |
| InChIKey | InChI | 1.06 | BDZZOEARWYDXMO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Oc1ccc(Br)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N |
| SMILES | CACTVS | 3.385 | CC(C)(Oc1ccc(Br)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(/c1cc(cs1)c2cccc(c2)NC(=O)C(C)(C)Oc3ccc(cc3)Br)\N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc3ccc(cc3)Br |
