1-(4-chlorophenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine
Basic information
- CAS
6710-21-0- Standard SMILES
Cc1ccc(CSc2nncn2N=Cc2ccc(Cl)cc2)cc1- InChIKey
VJSMOEVZCLQEAZ-UHFFFAOYSA-N- Molecular formula
- C17H15ClN4S
- Average molar mass
- 342.8 g/mol
- Monoisotopic mass
- 342.0705954
Names & identifiers
- Preferred name
- 1-(4-chlorophenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine
- IUPAC
- 1-(4-chlorophenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine
Names & synonyms
6710-21-0DTXSID309861261-(4-Chlorophenyl)-N-(3-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-yl)methanimine
Database identifiers
- CAS
6710-21-0- PubChem CID
- 732947
- DTXSID
DTXSID30986126
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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