| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Nc3ccc(c1nc2ccccc2s1)cc3)COc4cccc(OC)c4 |
| InChI | InChI | 1.03 | InChI=1S/C22H18N2O3S/c1-26-17-5-4-6-18(13-17)27-14-21(25)23-16-11-9-15(10-12-16)22-24-19-7-2-3-8-20(19)28-22/h2-13H,14H2,1H3,(H,23,25) |
| InChIKey | InChI | 1.03 | FYJKPCFYYJGKDO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cccc(OCC(=O)Nc2ccc(cc2)c3sc4ccccc4n3)c1 |
| SMILES | CACTVS | 3.370 | COc1cccc(OCC(=O)Nc2ccc(cc2)c3sc4ccccc4n3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cccc(c1)OCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1cccc(c1)OCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3 |
