Basic information
- CAS
339012-87-2- Standard SMILES
COc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1- InChIKey
YKXNMKLQVYSFAY-UHFFFAOYSA-N- Molecular formula
- C22H19N3OS
- Average molar mass
- 373.5 g/mol
Names & identifiers
- Preferred name
- 3-[(4-Methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
- IUPAC
- 3-[(4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
- English name
- BUTTPARK 64\41-14
- Molecular formula
- C22H19N3OS
- Molecular weight
- 373.47
Names & synonyms
339012-87-23-[(4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl methyl etherSTK733099AKOS003235246AG-205/370471093-((4-methoxybenzyl)thio)-4,5-diphenyl-4H-1,2,4-triazole3-[(4-methoxybenzyl)sulfanyl]-4,5-diphenyl-4H-1,2,4-triazoleBUTTPARK 64\41-144H-1,2,4-Triazole, 3-[[(4-methoxyphenyl)methyl]thio]-4,5-diphenyl-
Database identifiers
- CAS
339012-87-2
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 431
Chemistry & industry
Suppliers4 total
BUTTPARK[email protected]
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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