2O8
概要
| 表記: | 4-[(trifluoromethyl)sulfanyl]benzamide |
| 組成式: | C8 H6 F3 N O S |
| 電荷: | 0 |
| 化学式量: | 221.2 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 | 4-[(trifluoromethyl)sulfanyl]benzamide |
| OpenEye OEToolkits | 1.7.6 | 4-(trifluoromethylsulfanyl)benzamide |
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 | FC(F)(F)Sc1ccc(cc1)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H6F3NOS/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13) |
| InChIKey | InChI | 1.03 | ILYWYSLTZOUSID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(SC(F)(F)F)cc1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(SC(F)(F)F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(=O)N)SC(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(=O)N)SC(F)(F)F |
