| 名称 | 内容 |
|---|---|
| kegg编号 | C19317 |
| pubchemid | 124489989 |
| name | Allyl isothiocyanate |
| formula | C4H5NS |
| structure |  |
| Isomeric_Smiles | CC1=C2CC[C@@H]3[C@H](C2=C(C=C1)Cl)CC[C@@]4([C@@H]3CC[C@@]4(C)OC(=O)C)C |
| Cannoical_Smiles | CC1=C2CCC3C(C2=C(C=C1)Cl)CCC4(C3CCC4(C)OC(=O)C)C |
| Gotenzyme_Smiles | C=CCN=C=S |
