| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(N(C=N3)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C19H19N5O3S/c1-3-9-28(26,27)23-18-6-4-5-17(15(18)11-20)22-13-7-8-16-14(10-13)19(25)24(2)12-21-16/h4-8,10,12,22-23H,3,9H2,1-2H3 |
| InChIKey | InChI | 1.03 | VBLJFIYCXZTIPN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[S](=O)(=O)Nc1cccc(Nc2ccc3N=CN(C)C(=O)c3c2)c1C#N |
| SMILES | CACTVS | 3.385 | CCC[S](=O)(=O)Nc1cccc(Nc2ccc3N=CN(C)C(=O)c3c2)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(=O)N(C=N3)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(=O)N(C=N3)C |
