Methyl 4-(4-allyl-5-((2-anilino-2-oxoethyl)thio)-4H-1,2,4-triazol-3-YL)benzoate
methyl 4-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]benzoate
Also Known As: Methyl 4-(4-allyl-5-((2-oxo-2-(phenylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)benzoate|Methyl 4-(4-allyl-5-((2-anilino-2-oxoethyl)thio)-4H-1,2,4-triazol-3-YL)benzoate|methyl 4-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]benzoate|Methyl 4-[5-(phenylcarbamoylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]benzoate|methyl 4-{4-allyl-5-[(2-anilino-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}benzoate|644-341-9
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.1256 g/mol |
| LogP | 3.6485 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.1256 |
| Monoisotopic Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1000.5255 |
Chemical Identifiers
| CAS Number | 618441-15-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3 |
Product Overview
Methyl 4-(4-allyl-5-((2-anilino-2-oxoethyl)thio)-4H-1,2,4-triazol-3-YL)benzoate (CAS 618441-15-9), with molecular formula C21H20N4O3S and molecular weight 408.1256 g/mol. IUPAC: methyl 4-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]benzoate.
Methyl 4-(4-allyl-5-((2-anilino-2-oxoethyl)thio)-4H-1,2,4-triazol-3-YL)benzoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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