Basic information
- Standard SMILES
CCS(=O)c1ccccc1-c1nc2cc(C#N)cnc2n1C- InChIKey
CASGKMVFBCWJHX-UHFFFAOYSA-N- Molecular formula
- C16H14N4OS
- Average molar mass
- 310.4 g/mol
Names & identifiers
- Preferred name
- 6-cyano-2-(2-ethylsulfinylphenyl)-3-methyl-3H-imidazo[4,5-b]pyridine
- IUPAC
- 2-(2-ethylsulfinylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbonitrile
Names & synonyms
SCHEMBL15412347CASGKMVFBCWJHX-UHFFFAOYSA-NDB-3923306-cyano-2-(2-ethylsulfinylphenyl)-3-methyl-3H-imidazo[4,5-b]pyridine2-[2-(Ethylsulfinyl)phenyl]-3-methyl-3H-imidazo[4,5-b]pyridine-6-carbonitrile1383944-63-5
Database identifiers
- PubChem CID
- 86708207
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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