Basic information
- Standard SMILES
CSc1ccc(C(O)c2cnccc2-c2cccc(C#N)c2)cc1- InChIKey
YPRJDBPDRLOVJK-UHFFFAOYSA-N- Molecular formula
- C20H16N2OS
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.09833431
Names & identifiers
- Preferred name
- 3-{3-[Hydroxy-(4-methylsulfanyl-phenyl)-methyl]-pyridin-4-yl)-benzonitrile
- IUPAC
- 3-[3-[hydroxy-(4-methylsulfanylphenyl)methyl]-4-pyridinyl]benzonitrile
Names & synonyms
3-{3-[hydroxy-(4-methylsulfanyl-phenyl)-methyl]-pyridin-4-yl)-benzonitrile3-{3-[hydroxy-(4-methylsulfanyl-phenyl)-methyl]-pyridin-4-yl}-benzonitrileSCHEMBL3064110YPRJDBPDRLOVJK-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59205183
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 440
Related reactions
3 records
Compound notes
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