| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N=C(S/C1=C/c3cc2cccnc2cc3)NCc4sccc4 |
| InChI | InChI | 1.03 | InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10+ |
| InChIKey | InChI | 1.03 | XOLMRFUGOINFDQ-MHWRWJLKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C\1N=C(NCc2sccc2)SC\1=C/c3ccc4ncccc4c3 |
| SMILES | CACTVS | 3.370 | O=C1N=C(NCc2sccc2)SC1=Cc3ccc4ncccc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2cc(ccc2nc1)/C=C/3\C(=O)N=C(S3)NCc4cccs4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2cc(ccc2nc1)C=C3C(=O)N=C(S3)NCc4cccs4 |
