Basic information
- CAS
299922-25-1- Standard SMILES
Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccc1- InChIKey
ARSGBHLXHQNDKF-UHFFFAOYSA-N- Molecular formula
- C17H14FN3OS
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.08416141
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]ethanone
- IUPAC
- 1-(4-fluorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Names & synonyms
299922-25-11-(4-Fluorophenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]ethanone1-(4-Fluorophenyl)-2-((4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanoneRefChem:225149Cambridge id 6966947SCHEMBL4206769DTXSID001142332AKOS0022744571-(4-fluorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoneST065514AG-205/13631311SR-01000528592
Show more names
SR-01000528592-11-(4-fluorophenyl)-2-(4-methyl-5-phenyl(1,2,4-triazol-3-ylthio))ethan-1-one1-(4-Fluorophenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Database identifiers
- CAS
299922-25-1- PubChem CID
- 755370
- DTXSID
DTXSID001142332
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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