U7D
概要
| 表記: | 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea |
| 別名: | CHEMBL2134995 |
| 組成式: | C14 H12 F3 N3 S |
| 電荷: | 0 |
| 化学式量: | 311.325 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 | 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea |
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 | 1.06 | InChI=1S/C14H12F3N3S/c1-9-5-6-18-12(7-9)20-13(21)19-11-4-2-3-10(8-11)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21) |
| InChIKey | InChI | 1.06 | FSUJUFLZGYFLEM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccnc(NC(=S)Nc2cccc(c2)C(F)(F)F)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccnc(NC(=S)Nc2cccc(c2)C(F)(F)F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccnc(c1)NC(=S)Nc2cccc(c2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccnc(c1)NC(=S)Nc2cccc(c2)C(F)(F)F |
