| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1cc(ccc1)C)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C |
| InChI | InChI | 1.03 | InChI=1S/C19H20N4O4S/c1-13-7-6-10-15(11-13)28(26,27)22(2)16-17(20)23(19(25)21-18(16)24)12-14-8-4-3-5-9-14/h3-11H,12,20H2,1-2H3,(H,21,24,25) |
| InChIKey | InChI | 1.03 | BMPTWGBWJRVEGN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C1=C(N)N(Cc2ccccc2)C(=O)NC1=O)[S](=O)(=O)c3cccc(C)c3 |
| SMILES | CACTVS | 3.385 | CN(C1=C(N)N(Cc2ccccc2)C(=O)NC1=O)[S](=O)(=O)c3cccc(C)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1)S(=O)(=O)N(C)C2=C(N(C(=O)NC2=O)Cc3ccccc3)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1)S(=O)(=O)N(C)C2=C(N(C(=O)NC2=O)Cc3ccccc3)N |
