CHEBI:92388 - 1-(3,4-dihydroxyphenyl)-2-[[5-(2-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-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
ChEBI ID CHEBI:92388
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/c1-3-10-23-19(14-6-4-5-7-18(14)27-2)21-22-20(23)28-12-17(26)13-8-9-15(24)16(25)11-13/h3-9,11,24-25H,1,10,12H2,2H3
InChIKey HDLQKEKTQTTWGA-UHFFFAOYSA-N
SMILES COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)C3=CC(=C(C=C3)O)O
ChEBI Ontology
Outgoing 1-(3,4-dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone (CHEBI:92388) is a aromatic ketone (CHEBI:76224)
Manual Xref Database
LSM-2479 LINCS
View more database links