| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(N)(=O)c1nnc(NC(=O)CCc2ccccc2)s1 |
| InChI | InChI | 1.06 | InChI=1S/C11H12N4O3S2/c12-20(17,18)11-15-14-10(19-11)13-9(16)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,17,18)(H,13,14,16) |
| InChIKey | InChI | 1.06 | WHDSEJCOQPMZNM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1sc(NC(=O)CCc2ccccc2)nn1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1sc(NC(=O)CCc2ccccc2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCC(=O)Nc2nnc(s2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCC(=O)Nc2nnc(s2)S(=O)(=O)N |
