WKR
概要
| 表記: | 4-(tert-butylsulfanyl)-6-phenyl-1,3,5-triazine-2(5H)-thione |
| 組成式: | C13 H15 N3 S2 |
| 電荷: | 0 |
| 化学式量: | 277.408 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 | 4-(tert-butylsulfanyl)-6-phenyl-1,3,5-triazine-2(5H)-thione |
| OpenEye OEToolkits | 2.0.7 | 2-~{tert}-butylsulfanyl-6-phenyl-1~{H}-1,3,5-triazine-4-thione |
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 | CC(C)(C)SC1=NC(=S)N=C(N1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H15N3S2/c1-13(2,3)18-12-15-10(14-11(17)16-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15,16,17) |
| InChIKey | InChI | 1.06 | SGVUEVJCXUVNAR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)SC1=NC(=S)N=C(N1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)SC1=NC(=S)N=C(N1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)SC1=NC(=S)N=C(N1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)SC1=NC(=S)N=C(N1)c2ccccc2 |
