CHEBI:107377 - 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone
ChEBI ID CHEBI:107377
Stars This entity has been manually annotated by a third party.
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Formula C21H15BrFN3O2S
Net Charge 0
Average Mass 472.332
Monoisotopic Mass 471.00524
InChI InChI=1S/C21H15BrFN3O2S/c22-19-11-10-18(28-19)20-24-25-21(26(20)12-14-6-2-1-3-7-14)29-13-17(27)15-8-4-5-9-16(15)23/h1-11H,12-13H2
InChIKey KBUOQAYFGCGAKV-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=CC=C3F)C4=CC=C(O4)Br
ChEBI Ontology
Outgoing 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone (CHEBI:107377) is a aromatic ketone (CHEBI:76224)
Manual Xref Database
LSM-18731 LINCS
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