MMJ
概要
| 表記: | N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine |
| 組成式: | C12 H14 N2 S |
| 電荷: | 0 |
| 化学式量: | 218.318 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-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine |
| OpenEye OEToolkits | 1.7.6 | N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine |
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 | n1c(c(sc1c2ccccc2)CNC)C |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2S/c1-9-11(8-13-2)15-12(14-9)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3 |
| InChIKey | InChI | 1.03 | GFAGRBRYZWAUSV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CNCc1sc(nc1C)c2ccccc2 |
| SMILES | CACTVS | 3.370 | CNCc1sc(nc1C)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)c2ccccc2)CNC |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)c2ccccc2)CNC |
