AC1M1BI6
2-[[5-(2-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-((5-(2-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone|2-[[5-(2-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone|2-[[5-(2-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone|2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C23H18ClN3OS |
|---|---|
| Molecular Weight | 419.0859 g/mol |
| LogP | 5.87112 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.0859 |
| Monoisotopic Mass | 419.0859 |
| Heavy Atoms | 29 |
| Complexity | 1140.5189 |
Chemical Identifiers
| CAS Number | 849005-91-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl |
Product Overview
AC1M1BI6 (CAS 849005-91-0), with molecular formula C23H18ClN3OS and molecular weight 419.0859 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
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