2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
Basic information
- CAS
5321-67-5- Standard SMILES
CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2cccc(SC)c2)n1C- InChIKey
WSOLWAVXSQOTAS-UHFFFAOYSA-N- Molecular formula
- C22H26N4O3S2
- Average molar mass
- 458.6 g/mol
- Monoisotopic mass
- 458.14463305
Names & identifiers
- Preferred name
- 2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
- IUPAC
- 2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
Names & synonyms
5321-67-52-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamideAR-196/427277972-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamideDTXSID00359702STK139651AKOS003668677
Database identifiers
- CAS
5321-67-5- PubChem CID
- 986479
- DTXSID
DTXSID00359702
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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