6HV
概要
| 表記: | (2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone |
| 組成式: | C18 H15 N O S |
| 電荷: | 0 |
| 化学式量: | 293.383 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',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone |
| OpenEye OEToolkits | 2.0.4 | [4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-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 | Cc1ccccc1c3c(ccc(C(=O)c2nccs2)c3)C |
| InChI | InChI | 1.03 | InChI=1S/C18H15NOS/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)17(20)18-19-9-10-21-18/h3-11H,1-2H3 |
| InChIKey | InChI | 1.03 | WEOQMVQEKRDUIM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1c2cc(ccc2C)C(=O)c3sccn3 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1c2cc(ccc2C)C(=O)c3sccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3 |
