| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(\N=C1/SC(=CN1)Cc2cccc(c2)C(F)(F)F)CSc3nc(cc(n3)C)C |
| InChI | InChI | 1.03 | InChI=1S/C19H17F3N4OS2/c1-11-6-12(2)25-18(24-11)28-10-16(27)26-17-23-9-15(29-17)8-13-4-3-5-14(7-13)19(20,21)22/h3-7,9H,8,10H2,1-2H3,(H,23,26,27) |
| InChIKey | InChI | 1.03 | WWJGDLQISVVNRI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)nc(SCC(=O)N=C2NC=C(Cc3cccc(c3)C(F)(F)F)S2)n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)nc(SCC(=O)N=C2NC=C(Cc3cccc(c3)C(F)(F)F)S2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(n1)SCC(=O)/N=C\2/NC=C(S2)Cc3cccc(c3)C(F)(F)F)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(n1)SCC(=O)N=C2NC=C(S2)Cc3cccc(c3)C(F)(F)F)C |
