AC1MD19B
2-[[5-(6-chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-1-phenylethan-1-one|2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-1-phenylethan-1|2-[[5-(6-chloropyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone|2-{[5-(6-chloropyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C22H14ClF3N4OS |
|---|---|
| Molecular Weight | 474.0529 g/mol |
| LogP | 5.9765 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.0529 |
| Monoisotopic Mass | 474.0529 |
| Heavy Atoms | 32 |
| Complexity | 1244.2781 |
Chemical Identifiers
| CAS Number | 680217-01-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)C4=CN=C(C=C4)Cl |
Product Overview
AC1MD19B (CAS 680217-01-0), with molecular formula C22H14ClF3N4OS and molecular weight 474.0529 g/mol. IUPAC: 2-[[5-(6-chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
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