4'-[[(5-Amino-1,2,4-triazol-3-yl]thio]methyl]-2'-hydroxy-3'-propylacetophenone

HCID 14373003

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

Related reactions

3 records

Linked notes

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