738
概要
| 表記: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide |
| 組成式: | C16 H13 F N2 O S |
| 電荷: | 0 |
| 化学式量: | 300.351 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide |
| OpenEye OEToolkits | 1.5.0 | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluoro-benzamide |
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 | 10.04 | Fc1ccccc1C(=O)Nc2sc3c(c2C#N)CCCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccccc1C(=O)Nc2sc3CCCCc3c2C#N |
| SMILES | CACTVS | 3.341 | Fc1ccccc1C(=O)Nc2sc3CCCCc3c2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F |
| InChI | InChI | 1.03 | InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20) |
| InChIKey | InChI | 1.03 | YVYPYORTKAIUGJ-UHFFFAOYSA-N |
