Basic information
- Standard SMILES
CSc1ccc(-n2nc(C)nc2-c2ccc(F)cc2)cc1- InChIKey
JFTOPJMDFBKWNU-UHFFFAOYSA-N- Molecular formula
- C16H14FN3S
- Average molar mass
- 299.4 g/mol
Names & identifiers
- Preferred name
- 5-(4-fluoro-phenyl)-3-mehtyl-1-(4-methylsulfanyl-phenyl)-1H-[1,2,4]triazole
- IUPAC
- 5-(4-fluorophenyl)-3-methyl-1-(4-methylsulfanylphenyl)-1,2,4-triazole
Names & synonyms
SCHEMBL5201918JFTOPJMDFBKWNU-UHFFFAOYSA-N5-(4-fluoro-phenyl)-3-mehtyl-1 -(4-methylsulfanyl-phenyl)-1H-[1,2,4]triazole5-(4-fluoro-phenyl)-3-mehtyl-1-(4-methylsulfanyl-phenyl)-1H-[1,2,4]triazole
Database identifiers
- PubChem CID
- 21894680
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 327
Related reactions
1 records
Compound notes
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