CHEBI:116970 - 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone
ChEBI ID CHEBI:116970
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H15FN6OS
Net Charge 0
Average Mass 382.416
Monoisotopic Mass 382.10121
InChI InChI=1S/C18H15FN6OS/c1-24-17(10-25-15-9-5-4-8-14(15)20-23-25)21-22-18(24)27-11-16(26)12-6-2-3-7-13(12)19/h2-9H,10-11H2,1H3
InChIKey VUDHFUHPZLIZAW-UHFFFAOYSA-N
SMILES CN1C(=NN=C1SCC(=O)C2=CC=CC=C2F)CN3C4=CC=CC=C4N=N3
ChEBI Ontology
Outgoing 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone (CHEBI:116970) is a aromatic ketone (CHEBI:76224)
Manual Xref Database
LSM-28418 LINCS
View more database links