SSW
概要
| 表記: | 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| 別名: | 6-[3-(trifluoromethyloxy)phenyl]sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one 6-[3-(trifluoromethyloxy)phenyl]sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
| 組成式: | C12 H7 F3 N4 O2 S |
| 電荷: | 0 |
| 化学式量: | 328.27 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 6-[3-(trifluoromethyloxy)phenyl]sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C12H7F3N4O2S/c13-12(14,15)21-7-2-1-3-8(6-7)22-10-5-4-9-16-17-11(20)19(9)18-10/h1-6H,(H,17,20) |
| InChIKey | InChI | 1.03 | SFULZVNQBHXFMN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)Oc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)Oc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)SC2=NN3C(=NNC3=O)C=C2)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)SC2=NN3C(=NNC3=O)C=C2)OC(F)(F)F |
