4-bromo-N-[(5-{[4-(tert-butyl)benzyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
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Basic information
- CAS
338794-55-1- Standard SMILES
CCn1c(CNS(=O)(=O)c2ccc(Br)cc2)nnc1SCc1ccc(C(C)(C)C)cc1- InChIKey
DKDDUZBNXZWBBC-UHFFFAOYSA-N- Molecular formula
- C22H27BrN4O2S2
- Average molar mass
- 523.5 g/mol
Names & identifiers
- Preferred name
- 4-bromo-N-[(5-{[4-(tert-butyl)benzyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
- IUPAC
- 4-bromo-N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
- English name
- 4-Bromo-N-[(5-([4-(tert-butyl)benzyl]sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
- Molecular formula
- C22H27BrN4O2S2
- Molecular weight
- 523.51
Names & synonyms
338794-55-14-bromo-N-[(5-{[4-(tert-butyl)benzyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide4-bromo-N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide4-bromo-N-[(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]benzene-1-sulfonamideAKOS0050971906H-457S4-Bromo-N-((5-((4-(tert-butyl)benzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)methyl)benzenesulfonamide4-Bromo-N-[(5-([4-(tert-butyl)benzyl]sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]benzenesulfonamideBenzenesulfonamide, 4-bromo-N-[[5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-4-ethyl-4H-1,2,4-triazol-3-yl]methyl]-
Database identifiers
- CAS
338794-55-1
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 651
Related reactions
0 records
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Compound notes
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