化学标识
BI-78D3
未列出 · C13H9N5O5S2
01化学标识
| Lazychem ID | LC-95225 |
|---|---|
| CAS RN | 未列出 |
| PubChem CID | 2747117 |
| Molecular formula | C13H9N5O5S2 |
| Molecular weight | 379.4 g/mol |
| IUPAC name | 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one |
| InChIKey | QFRLDZGQEZCCJZ-UHFFFAOYSA-N |
02结构与立体化学
2D structurePubChem CID 2747117

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, contains a nitro substructure. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SC4=NC=C(S4)[N+](=O)[O-] |
|---|---|
| InChI | 未列出 |
03印度监管状态
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
04名称与关联
原料药与母体药物
未列出
名称与关联
05来源
- S01PubChem CID 2747117
Structure and machine-readable chemical identifiers.
