K74
概要
| 表記: | N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide |
| 組成式: | C11 H9 Br4 N3 O S |
| 電荷: | 0 |
| 化学式量: | 550.89 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 1.6.1 | N-methyl-2-(4,5,6,7-tetrabromo-1-methyl-benzimidazol-2-yl)sulfanyl-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_CANONICAL | CACTVS | 3.352 | CNC(=O)CSc1nc2c(Br)c(Br)c(Br)c(Br)c2n1C |
| SMILES | CACTVS | 3.352 | CNC(=O)CSc1nc2c(Br)c(Br)c(Br)c(Br)c2n1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CNC(=O)CSc1nc2c(n1C)c(c(c(c2Br)Br)Br)Br |
| SMILES | OpenEye OEToolkits | 1.7.0 | CNC(=O)CSc1nc2c(n1C)c(c(c(c2Br)Br)Br)Br |
| InChI | InChI | 1.03 | InChI=1S/C11H9Br4N3OS/c1-16-4(19)3-20-11-17-9-7(14)5(12)6(13)8(15)10(9)18(11)2/h3H2,1-2H3,(H,16,19) |
| InChIKey | InChI | 1.03 | WQKFCQSISPMQST-UHFFFAOYSA-N |
