Pro_Molecular_Structure:
pro_cdbregno:CCD00407169
N-(4-BROMO-2-METHYLPHENYL)-2-((3-CYANO-4-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-2-YL)SULFANYL)ACETAMIDE
pro_formula:C21 H19 Br F3 N3 O S
pro_molWeight:498.365
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| Product_Name： | N-(4-BROMO-2-METHYLPHENYL)-2-((3-CYANO-4-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-2-YL)SULFANYL)ACETAMIDE |
| EnglishSynonyms： | N-(4-BROMO-2-METHYLPHENYL)-2-((3-CYANO-4-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-2-YL)SULFANYL)ACETAMIDE |
| pro_mdlNumber： | MFCD03697926 |
| pro_acceptors： | 4 |
| pro_donors： | 1 |
| pro_smile： | Cc1cc(ccc1NC(=O)CSc2c(c(c3c(n2)CCCCC3)C(F)(F)F)C#N)Br |
| InChi： | InChI=1S/C21H19BrF3N3OS/c1-12-9-13(22)7-8-16(12)27-18(29)11-30-20-15(10-26)19(21(23,24)25)14-5-3-2-4-6-17(14)28-20/h7-9H,2-6,11H2,1H3,(H,27,29) |
| InChiKey： | InChIKey=HHMJGSMJQGTAJA-UHFFFAOYSA-N |
basic_info
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