| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C21H22N4OS/c1-21(2,25-16-8-4-3-5-9-16)20(26)24-17-10-6-7-14(11-17)15-12-18(19(22)23)27-13-15/h3-13,25H,1-2H3,(H3,22,23)(H,24,26) |
| InChIKey | InChI | 1.06 | ZFUZBVHGBLQGKL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Nc1ccccc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N |
| SMILES | CACTVS | 3.385 | CC(C)(Nc1ccccc1)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)Nc3ccccc3)\N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Nc3ccccc3 |
