CHEBI:104904 - 2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide
ChEBI ID CHEBI:104904
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H20FN5O4S
Net Charge 0
Average Mass 445.469
Monoisotopic Mass 445.12200
InChI InChI=1S/C20H20FN5O4S/c1-2-9-26-17(12-30-16-8-4-3-7-15(16)21)24-25-20(26)31-13-18(27)23-19(28)22-11-14-6-5-10-29-14/h2-8,10H,1,9,11-13H2,(H2,22,23,27,28)
InChIKey LKDZAKCWEHQYSW-UHFFFAOYSA-N
SMILES C=CCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CO2)COC3=CC=CC=C3F
ChEBI Ontology
Outgoing 2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide (CHEBI:104904) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-16267 LINCS
View more database links