DJM
概要
| 表記: | 2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide |
| 組成式: | C13 H15 N3 O2 S |
| 電荷: | 0 |
| 化学式量: | 277.342 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-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide |
| OpenEye OEToolkits | 2.0.6 | 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-~{N}-oxidanyl-ethanamide |
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 | Cc1cc(cc(c1)C)n2ccnc2SCC(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O2S/c1-9-5-10(2)7-11(6-9)16-4-3-14-13(16)19-8-12(17)15-18/h3-7,18H,8H2,1-2H3,(H,15,17) |
| InChIKey | InChI | 1.03 | KKPWLEDZKPGXQJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)cc(c1)n2ccnc2SCC(=O)NO |
| SMILES | CACTVS | 3.385 | Cc1cc(C)cc(c1)n2ccnc2SCC(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc(c1)n2ccnc2SCC(=O)NO)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc(c1)n2ccnc2SCC(=O)NO)C |
