D0P
概要
| 表記: | N-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide |
| 組成式: | C14 H11 F2 N O2 S |
| 電荷: | 0 |
| 化学式量: | 295.304 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 | N-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-phenyl]-2-sulfanyl-ethanamide |
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 | c2(ccc(c1ccc(c(NC(CS)=O)c1)O)c(c2)F)F |
| InChI | InChI | 1.03 | InChI=1S/C14H11F2NO2S/c15-9-2-3-10(11(16)6-9)8-1-4-13(18)12(5-8)17-14(19)7-20/h1-6,18,20H,7H2,(H,17,19) |
| InChIKey | InChI | 1.03 | LYFMUHLLGBRDOD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1NC(=O)CS)c2ccc(F)cc2F |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1NC(=O)CS)c2ccc(F)cc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1c2ccc(cc2F)F)NC(=O)CS)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1c2ccc(cc2F)F)NC(=O)CS)O |
