| 名称 | 内容 |
|---|---|
| kegg编号 | C18587 |
| pubchemid | 124489261 |
| name | Methyl isothiocyanate |
| formula | C2H3NS |
| structure |  |
| Isomeric_Smiles | CNC[C@@H]1CCN(C1)C(=O)CC2=CC=C(C=C2)C(F)(F)F |
| Cannoical_Smiles | CNCC1CCN(C1)C(=O)CC2=CC=C(C=C2)C(F)(F)F |
| Gotenzyme_Smiles | CN=C=S |
