| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc1cccc(Cl)c1CC(=[N@H])NC(=S)Nc2ccc(C#N)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1cccc(Cl)c1CC(=N)NC(=S)Nc2ccc(cc2)C#N |
| SMILES | CACTVS | 3.341 | Clc1cccc(Cl)c1CC(=N)NC(=S)Nc2ccc(cc2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)CC(=N)NC(=S)Nc2ccc(cc2)C#N)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)CC(=N)NC(=S)Nc2ccc(cc2)C#N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C16H12Cl2N4S/c17-13-2-1-3-14(18)12(13)8-15(20)22-16(23)21-11-6-4-10(9-19)5-7-11/h1-7H,8H2,(H3,20,21,22,23) |
| InChIKey | InChI | 1.03 | NWKJBFSBEAMDBE-UHFFFAOYSA-N |
