0FS
概要
| 表記: | (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione |
| 組成式: | C11 H6 F3 N O2 S |
| 電荷: | 0 |
| 化学式量: | 273.231 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione |
| OpenEye OEToolkits | 1.7.6 | (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C1C(\SC(=O)N1)=C\c2cccc(c2)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5- |
| InChIKey | InChI | 1.03 | NGJLOFCOEOHFKQ-YVMONPNESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | FC(F)(F)c1cccc(\C=C\2SC(=O)NC\2=O)c1 |
| SMILES | CACTVS | 3.370 | FC(F)(F)c1cccc(C=C2SC(=O)NC2=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C(F)(F)F)/C=C\2/C(=O)NC(=O)S2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C(F)(F)F)C=C2C(=O)NC(=O)S2 |
