| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(c(O)cc2N)C)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)/b22-21+ |
| InChIKey | InChI | 1.03 | DZTGIRNXWSZBIM-QURGRASLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)c(N)cc1O |
| SMILES | CACTVS | 3.385 | Cc1cc(N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)c(N)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(cc1O)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(cc1O)N)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3 |
