SYU
概要
| 表記: | 3-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-(hydroxymethyl)-1~{H}-imidazole-2-thione |
| 組成式: | C13 H10 F6 N2 O S |
| 電荷: | 0 |
| 化学式量: | 356.287 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 | 3-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-(hydroxymethyl)-1~{H}-imidazole-2-thione |
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/C13H10F6N2OS/c14-12(15,16)8-2-1-7(10(3-8)13(17,18)19)4-21-5-9(6-22)20-11(21)23/h1-3,5,22H,4,6H2,(H,20,23) |
| InChIKey | InChI | 1.06 | WXKONROFPLKHOA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC1=CN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=S)N1 |
| SMILES | CACTVS | 3.385 | OCC1=CN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=S)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(F)(F)F)C(F)(F)F)CN2C=C(NC2=S)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(F)(F)F)C(F)(F)F)CN2C=C(NC2=S)CO |
