2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone
Basic information
- CAS
5323-93-3- Standard SMILES
Cn1cnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1- InChIKey
VCVSPYXKFKWIBK-UHFFFAOYSA-N- Molecular formula
- C17H15N3O2S
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.0884979
Names & identifiers
- Preferred name
- 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone
- IUPAC
- 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone
Names & synonyms
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone5323-93-3STK2262122-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanoneDTXSID40367023AKOS003327708AP-853/42655482SR-01000283687SR-01000283687-12-[(4-Methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethan-1-one
Database identifiers
- CAS
5323-93-3- PubChem CID
- 2217845
- DTXSID
DTXSID40367023
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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