2-[(3,4-Dichlorophenyl)methylthio]-4,6-diphenylpyridine-3-carbonitrile
Basic information
- CAS
299438-68-9- Standard SMILES
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)c(Cl)c1- InChIKey
RQPVNTINGDYDHN-UHFFFAOYSA-N- Molecular formula
- C25H16Cl2N2S
- Average molar mass
- 447.4 g/mol
- Monoisotopic mass
- 446.0411251
Names & identifiers
- Preferred name
- 2-[(3,4-Dichlorophenyl)methylthio]-4,6-diphenylpyridine-3-carbonitrile
- IUPAC
- 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile
Names & synonyms
2-{[(3,4-DICHLOROPHENYL)METHYL]SULFANYL}-4,6-DIPHENYLPYRIDINE-3-CARBONITRILEOprea1_665957DTXSID5011505322-[[(3,4-Dichlorophenyl)methyl]thio]-4,6-diphenyl-3-pyridinecarbonitrileAKOS000564375299438-68-9ST50256873SR-01000508489SR-01000508489-12-[(3,4-dichlorophenyl)methylthio]-4,6-diphenylpyridine-3-carbonitrile
Database identifiers
- CAS
299438-68-9- PubChem CID
- 3135063
- DTXSID
DTXSID501150532
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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