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| Duplicate ID | |
|---|---|
| Smiles | CCS(=O)(=O)N1CC(C1)(CC#N)[n]1cc(c[n]1)-c1:[nH]:c:[n]:c2:[n]:c:c:c-2:1 |
| Cas Number | |
| InChi | InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11,19H,2,4,9-10H2,1H3 |
| Formula | C16H17N7O2S |
| Molecular weight | 371.417 |
| Rings | 4 |
| logP | 2.11438 |
| PSA | 128.94 |
| MR | 98.5067 |