TFM
概要
| 表記: | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA |
| 組成式: | C10 H11 F3 N2 S |
| 電荷: | 0 |
| 化学式量: | 248.268 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 | ethyl N'-[4-(trifluoromethyl)phenyl]imidothiocarbamate |
| OpenEye OEToolkits | 1.5.0 | 1-ethylsulfanyl-N'-[4-(trifluoromethyl)phenyl]methanimidamide |
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 | FC(F)(F)c1ccc(\N=C(/SCC)N)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCSC(N)=Nc1ccc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.341 | CCSC(N)=Nc1ccc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCSC(=Nc1ccc(cc1)C(F)(F)F)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCSC(=Nc1ccc(cc1)C(F)(F)F)N |
| InChI | InChI | 1.03 | InChI=1S/C10H11F3N2S/c1-2-16-9(14)15-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15) |
| InChIKey | InChI | 1.03 | LCMOXIFARISMOH-UHFFFAOYSA-N |
