| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2A-100403 |
| Catalog No. | 2A-9000403 |
| Molecular Formula | C13H12BrN3OS3 |
| Molecular Weight | 402.3413 |
| Purity | 98 |
| SMILES | CCC[S-](COc1sc2cc(Br)ccc2n1)C([S-])=NC#N |
| InChI | InChI=1S/C13H13BrN3OS3/c1-2-5-21(13(19)16-7-15)8-18-12-17-10-4-3-9(14)6-11(10)20-12/h3-4,6H,2,5,8H2,1H3,(H,16,19)/q-1/p-1 |
| InChI Key | InChIKey=YFVOLWSBHRXTPN-UHFFFAOYSA-M |
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