| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | S=C(Nc1cc(\C=N\OC(C)(C)C)c(Cl)cc1)c2c(occ2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1occc1C(=S)Nc2ccc(Cl)c(\C=N\OC(C)(C)C)c2 |
| SMILES | CACTVS | 3.341 | Cc1occc1C(=S)Nc2ccc(Cl)c(C=NOC(C)(C)C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(cco1)C(=S)Nc2ccc(c(c2)\C=N\OC(C)(C)C)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(cco1)C(=S)Nc2ccc(c(c2)C=NOC(C)(C)C)Cl |
| InChI | InChI | 1.03 | InChI=1S/C17H19ClN2O2S/c1-11-14(7-8-21-11)16(23)20-13-5-6-15(18)12(9-13)10-19-22-17(2,3)4/h5-10H,1-4H3,(H,20,23)/b19-10+ |
| InChIKey | InChI | 1.03 | PLGIIOKXCKDKEU-VXLYETTFSA-N |
