| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(c1ccccc1)c1ccc(cc1)CSc1ncnc2[NH]cnc21 |
| InChI | InChI | 1.06 | InChI=1S/C19H14N4OS/c24-17(14-4-2-1-3-5-14)15-8-6-13(7-9-15)10-25-19-16-18(21-11-20-16)22-12-23-19/h1-9,11-12H,10H2,(H,20,21,22,23) |
| InChIKey | InChI | 1.06 | CNEQQMVCKRNNAJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(c1ccccc1)c2ccc(CSc3ncnc4[nH]cnc34)cc2 |
| SMILES | CACTVS | 3.385 | O=C(c1ccccc1)c2ccc(CSc3ncnc4[nH]cnc34)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C(=O)c2ccc(cc2)CSc3c4c([nH]cn4)ncn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C(=O)c2ccc(cc2)CSc3c4c([nH]cn4)ncn3 |
