| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H18N4OS/c22-20(23)18-11-16(13-4-2-1-3-5-13)19(27-18)12-25-21(26)15-7-6-14-8-9-24-17(14)10-15/h1-11,24H,12H2,(H3,22,23)(H,25,26) |
| InChIKey | InChI | 1.03 | AWDSOCIOIXYPGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1sc(CNC(=O)c2ccc3cc[nH]c3c2)c(c1)c4ccccc4 |
| SMILES | CACTVS | 3.385 | NC(=N)c1sc(CNC(=O)c2ccc3cc[nH]c3c2)c(c1)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/c1cc(c(s1)CNC(=O)c2ccc3cc[nH]c3c2)c4ccccc4)\N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(sc2CNC(=O)c3ccc4cc[nH]c4c3)C(=N)N |
