I8D
概要
| 表記: | (4-chlorophenyl)(thiomorpholin-4-yl)methanone |
| 組成式: | C11 H12 Cl N O S |
| 電荷: | 0 |
| 化学式量: | 241.737 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-chlorophenyl)(thiomorpholin-4-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | (4-chlorophenyl)-thiomorpholin-4-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(c1ccc(Cl)cc1)N1CCSCC1 |
| InChI | InChI | 1.03 | InChI=1S/C11H12ClNOS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2 |
| InChIKey | InChI | 1.03 | PIZZAODWSORPSH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1)C(=O)N2CCSCC2 |
| SMILES | CACTVS | 3.385 | Clc1ccc(cc1)C(=O)N2CCSCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)N2CCSCC2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)N2CCSCC2)Cl |
