Molecular Structure:
CCD No.:CCD00470195
SYNTHON-LAB SL023125
Formula:C22 H20 Br N3 O2 S
MolWeight:470.389
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| Product Name： | SYNTHON-LAB SL023125 |
| English Synonyms： | SYNTHON-LAB SL023125 |
| MDL Number.： | MFCD04538915 |
| H bond acceptor： | 5 |
| H bond donor： | 0 |
| Smile： | CC/N=C\1/N(C(=O)/C(=C\c2ccc(c(c2)Br)OCc3ccccc3C#N)/S1)CC |
| InChi： | InChI=1S/C22H20BrN3O2S/c1-3-25-22-26(4-2)21(27)20(29-22)12-15-9-10-19(18(23)11-15)28-14-17-8-6-5-7-16(17)13-24/h5-12H,3-4,14H2,1-2H3/b20-12+,25-22- |
| InChiKey： | InChIKey=PTDMPTJCWRROIJ-DSEZMCGYSA-N |
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