Basic information
- Standard SMILES
CSc1ccc(-n2nc(C)nc2-c2ccccc2)cc1- InChIKey
CCPPTVJJKALSJG-UHFFFAOYSA-N- Molecular formula
- C16H15N3S
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.09866866
Names & identifiers
- Preferred name
- 3-methyl-1-(4-methylsulfanyl-phenyl)-5-phenyl-1H-[1,2,4]triazole
- IUPAC
- 3-methyl-1-(4-methylsulfanylphenyl)-5-phenyl-1,2,4-triazole
Names & synonyms
SCHEMBL5205307CCPPTVJJKALSJG-UHFFFAOYSA-N3-methyl-1-(4-methylsulfanyl-phenyl)-5-phenyl-1H-[1,2,4]triazole
Database identifiers
- PubChem CID
- 21894675
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 298
Related reactions
2 records
Compound notes
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