| 名称 | 内容 |
|---|---|
| kegg编号 | C03311 |
| pubchemid | 6164 |
| name | Thien-2-ylacetonitrile |
| formula | C6H5NS |
| structure |  |
| Isomeric_Smiles | C[C@@]1(C2CC3C(C(=O)C(=C(N)O)C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.Cl |
| Cannoical_Smiles | CC1(C2CC3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.Cl |
| Gotenzyme_Smiles | N#CCc1cccs1 |
