CHEBI:112340 - 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone
ChEBI ID CHEBI:112340
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C11H11N3OS
Net Charge 0
Average Mass 233.291
Monoisotopic Mass 233.06228
InChI InChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)10(15)6-16-11-12-7-13-14-11/h2-5,7H,6H2,1H3,(H,12,13,14)
InChIKey MUVSMNVNXKMPGC-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)C(=O)CSC2=NC=NN2
ChEBI Ontology
Outgoing 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone (CHEBI:112340) is a aromatic ketone (CHEBI:76224)
Manual Xref Database
LSM-23752 LINCS
View more database links