AC1Q1QJL
propan-2-yl 2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: Propan-2-yl 2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate|isopropyl 2-((5-(3-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate|methylethyl 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio]ac etate|propan-2-yl {[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate|propan-2-yl 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C20H20ClN3O2S |
|---|---|
| Molecular Weight | 401.09647 g/mol |
| LogP | 4.93982 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.09647 |
| Monoisotopic Mass | 401.09647 |
| Heavy Atoms | 27 |
| Complexity | 938.6548 |
Chemical Identifiers
| CAS Number | 899412-88-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)C)C3=CC(=CC=C3)Cl |
Product Overview
AC1Q1QJL (CAS 899412-88-5), with molecular formula C20H20ClN3O2S and molecular weight 401.09647 g/mol. IUPAC: propan-2-yl 2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
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