GQS
概要
| 表記: | N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine |
| 組成式: | C9 H8 F N3 S |
| 電荷: | 0 |
| 化学式量: | 209.243 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 | N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine |
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 | n2nc(Nc1cccc(c1)F)sc2C |
| InChI | InChI | 1.03 | InChI=1S/C9H8FN3S/c1-6-12-13-9(14-6)11-8-4-2-3-7(10)5-8/h2-5H,1H3,(H,11,13) |
| InChIKey | InChI | 1.03 | YJCLSQDDYPKKDX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(Nc2cccc(F)c2)nn1 |
| SMILES | CACTVS | 3.385 | Cc1sc(Nc2cccc(F)c2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nnc(s1)Nc2cccc(c2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nnc(s1)Nc2cccc(c2)F |
