Basic information
- CAS
849478-05-3- Standard SMILES
CCn1c(SCC(=O)c2cc(C)c(C)cc2C)nnc1-c1ccco1- InChIKey
MBOJATRSXXTXDA-UHFFFAOYSA-N- Molecular formula
- C19H21N3O2S
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.13544809
Names & identifiers
- Preferred name
- 2-[[4-Ethyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]-1-(2,4,5-trimethylphenyl)ethanone
- IUPAC
- 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone
Names & synonyms
DTXSID801125621AKOS0024381532-[[4-Ethyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]-1-(2,4,5-trimethylphenyl)ethanone849478-05-32-{[4-Ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4,5-trimethylphenyl)ethan-1-one
Database identifiers
- CAS
849478-05-3- PubChem CID
- 4821079
- DTXSID
DTXSID801125621
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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