RHU
概要
| 表記: | 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol |
| 組成式: | C4 H4 F3 N3 S |
| 電荷: | 0 |
| 化学式量: | 183.155 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 | 1.7.6 | 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11) |
| InChIKey | InChI | 1.03 | HUZASKHMPBJXJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(S)nnc1C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cn1c(S)nnc1C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cn1c(nnc1S)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cn1c(nnc1S)C(F)(F)F |
