Basic information
- Standard SMILES
CC1(C)Oc2ccc(C#N)cc2[C@@H](SC2N=CC=N2)[C@H]1O- InChIKey
IUSDZMOOAMTQET-CHWSQXEVSA-N- Molecular formula
- C15H15N3O2S
- Average molar mass
- 301.4 g/mol
Names & identifiers
- Preferred name
- (3S,4R)-3-Hydroxy-4-(2H-imidazol-2-ylsulfanyl)-2,2-dimethyl-chroman-6-carbonitrile
- IUPAC
- (3S,4R)-3-hydroxy-4-(2H-imidazol-2-ylsulfanyl)-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
Names & synonyms
SCHEMBL3442238IUSDZMOOAMTQET-CHWSQXEVSA-N(3S,4R)-3-Hydroxy-4-(2H-imidazol-2-ylsulfanyl)-2,2-dimethyl-chroman-6-carbonitrile
Database identifiers
- PubChem CID
- 68644174
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 498
Related reactions
2 records
Compound notes
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