| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cnn4)C |
| SMILES_CANONICAL | CACTVS | 3.352 | C[S](=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 |
| SMILES | CACTVS | 3.352 | C[S](=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cn[nH]4 |
| SMILES | OpenEye OEToolkits | 1.6.1 | CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cn[nH]4 |
| InChI | InChI | 1.03 | InChI=1S/C18H16N6O2S/c1-27(25,26)13-5-2-4-12(10-13)21-18-19-9-8-17(23-18)22-15-6-3-7-16-14(15)11-20-24-16/h2-11H,1H3,(H,20,24)(H2,19,21,22,23) |
| InChIKey | InChI | 1.03 | FIWCLCRWDUELGO-UHFFFAOYSA-N |
