| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-12,25,27H,(H,22,26)/b23-11+ |
| InChIKey | InChI | 1.06 | CDNIYBIKHDLGMT-FOKLQQMPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1[nH]c2ccc3ncsc3c2c1C=Nc4ccc(cc4)[S](=O)(=O)Nc5ccccn5 |
| SMILES | CACTVS | 3.385 | Oc1[nH]c2ccc3ncsc3c2c1C=Nc4ccc(cc4)[S](=O)(=O)Nc5ccccn5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=C/c3c4c(ccc5c4scn5)[nH]c3O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Cc3c4c(ccc5c4scn5)[nH]c3O |
