UZ8
概要
| 表記: | [2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone |
| 組成式: | C11 H14 N2 O S |
| 電荷: | 0 |
| 化学式量: | 222.307 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 | [2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | (2-methylsulfanylpyridin-3-yl)-pyrrolidin-1-yl-methanone |
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=C(c1cccnc1SC)N1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H14N2OS/c1-15-10-9(5-4-6-12-10)11(14)13-7-2-3-8-13/h4-6H,2-3,7-8H2,1H3 |
| InChIKey | InChI | 1.06 | NVMKKNCLFDOZEG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ncccc1C(=O)N2CCCC2 |
| SMILES | CACTVS | 3.385 | CSc1ncccc1C(=O)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1c(cccn1)C(=O)N2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1c(cccn1)C(=O)N2CCCC2 |
