2-{[4-allyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
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Basic information
- CAS
352691-22-6- Standard SMILES
C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(Br)cc1- InChIKey
FHZNTCOVWNPZTJ-UHFFFAOYSA-N- Molecular formula
- C20H19BrN4OS
- Average molar mass
- 443.4 g/mol
Names & identifiers
- Preferred name
- 2-{[4-allyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
- IUPAC
- 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
- English name
- 2-{[4-allyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
- Molecular formula
- C20H19BrN4OS
- Molecular weight
- 443.36006
Names & synonyms
2-{[4-allyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamideSTL181963AKOS0022996532-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamideAK-968/122641362-{[5-(4-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Database identifiers
- CAS
352691-22-6
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
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Compound notes
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