1H-1,2,4-Triazole, 4,5-dihydro-3-(methylthio)-1,4-diphenyl-5-propyl-
Basic information
- CAS
56111-43-4- Standard SMILES
CCCC1N(c2ccccc2)N=C(SC)N1c1ccccc1- InChIKey
NAYHJLIJVAYIAR-UHFFFAOYSA-N- Molecular formula
- C18H21N3S
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.14561886
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 4,5-dihydro-3-(methylthio)-1,4-diphenyl-5-propyl-
- IUPAC
- 5-methylsulfanyl-2,4-diphenyl-3-propyl-3H-1,2,4-triazole
Names & synonyms
1H-1,2,4-Triazole, 4,5-dihydro-3-(methylthio)-1,4-diphenyl-5-propyl-56111-43-4DTXSID404802463-(Methylsulfanyl)-1,4-diphenyl-5-propyl-4,5-dihydro-1H-1,2,4-triazole
Database identifiers
- CAS
56111-43-4- PubChem CID
- 12201626
- DTXSID
DTXSID40480246
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
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Compound notes
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