CHEBI:92706 - 1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
ChEBI ID CHEBI:92706
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H19N3O4S
Net Charge 0
Average Mass 397.449
Monoisotopic Mass 397.10963
InChI InChI=1S/C20H19N3O4S/c1-3-9-23-19(14-5-4-6-15(10-14)27-2)21-22-20(23)28-12-18(26)13-7-8-16(24)17(25)11-13/h3-8,10-11,24-25H,1,9,12H2,2H3
InChIKey SLHDNIDGJASXKC-UHFFFAOYSA-N
SMILES COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC(=C(C=C3)O)O
ChEBI Ontology
Outgoing 1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone (CHEBI:92706) is a aromatic ketone (CHEBI:76224)
Manual Xref Database
LSM-2890 LINCS
View more database links