1A6
概要
| 表記: | 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine |
| 組成式: | C11 H10 N4 O S |
| 電荷: | 0 |
| 化学式量: | 246.288 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 | 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine |
| OpenEye OEToolkits | 1.7.6 | 3-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole |
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 | S(c1nnc2ccccn12)Cc3onc(c3)C |
| InChI | InChI | 1.03 | InChI=1S/C11H10N4OS/c1-8-6-9(16-14-8)7-17-11-13-12-10-4-2-3-5-15(10)11/h2-6H,7H2,1H3 |
| InChIKey | InChI | 1.03 | OHGHXAMWUPRSET-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(CSc2nnc3ccccn23)on1 |
| SMILES | CACTVS | 3.370 | Cc1cc(CSc2nnc3ccccn23)on1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(on1)CSc2nnc3n2cccc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(on1)CSc2nnc3n2cccc3 |
