| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N1C(/C(c2cc(ccc12)Br)=N\Nc3ccc(cc3)S(=O)(=O)N)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H11BrN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20) |
| InChIKey | InChI | 1.03 | ODZNNZYRBRRREX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(Br)cc23)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N |
