| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C17H11F3N4O2S/c18-17(19,20)12-7-5-10(6-8-12)14-22-23-16(27)24(14)21-9-11-3-1-2-4-13(11)15(25)26/h1-9H,(H,23,27)(H,25,26)/b21-9+ |
| InChIKey | InChI | 1.06 | XSLMCXSXQVUMLN-ZVBGSRNCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1/C=N/n2c(S)nnc2c3ccc(cc3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1C=Nn2c(S)nnc2c3ccc(cc3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)/C=N/n2c(nnc2S)c3ccc(cc3)C(F)(F)F)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)C=Nn2c(nnc2S)c3ccc(cc3)C(F)(F)F)C(=O)O |
