Basic information
- Standard SMILES
CCCc1c(CSc2n[nH]c(N)n2)ccc(C(C)=O)c1O- InChIKey
CZUHHCVMCYCBMT-UHFFFAOYSA-N- Molecular formula
- C14H18N4O2S
- Average molar mass
- 306.39 g/mol
Names & identifiers
- Preferred name
- 4'-[[(5-Amino-1,2,4-triazol-3-yl]thio]methyl]-2'-hydroxy-3'-propylacetophenone
- IUPAC
- 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-hydroxy-3-propylphenyl]ethanone
Names & synonyms
SCHEMBL9479157CZUHHCVMCYCBMT-UHFFFAOYSA-N4'-[[(5-amino-1,2,4-triazol-3-yl]thio]methyl]-2'-hydroxy -3'-propylacetophenone4'-[[(5-amino-1,2,4-triazol-3-yl]thio]methyl]-2'-hydroxy-3'-propylacetophenone
Database identifiers
- PubChem CID
- 14373003
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Related reactions
3 records
Linked notes
Loading…