| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c2ccc(c1nnnn1)cc2)NCB(O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H10BN5O4S/c15-9(16)5-10-19(17,18)7-3-1-6(2-4-7)8-11-13-14-12-8/h1-4,10,15-16H,5H2,(H,11,12,13,14) |
| InChIKey | InChI | 1.03 | SHNAIZGISNDQJQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OB(O)CN[S](=O)(=O)c1ccc(cc1)c2[nH]nnn2 |
| SMILES | CACTVS | 3.370 | OB(O)CN[S](=O)(=O)c1ccc(cc1)c2[nH]nnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)O |
