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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone
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Accession:CHEBI:107883 term browser browse the term
Definition:A triazole that has formula C12H12ClN3OS.
Synonyms:related_synonym: Formula=C12H12ClN3OS;   InChI=1S/C12H12ClN3OS/c1-3-10(17)16-12(18-2)14-11(15-16)8-4-6-9(13)7-5-8/h4-7H,3H2,1-2H3;   InChIKey=FOVVBQGJNFWDHB-UHFFFAOYSA-N;   SMILES=CCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)SC
 xref: LINCS:LSM-19260


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Term Annotations click to browse term
  CHEBI ontology 22306
    chemical entity 22305
      atom 22301
        nonmetal atom 22131
          nitrogen atom 20040
            nitrogen molecular entity 20040
              organonitrogen compound 19849
                organonitrogen heterocyclic compound 19100
                  azole 15001
                    triazoles 8802
                      1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22306
    subatomic particle 22301
      composite particle 22301
        hadron 22301
          baryon 22301
            nucleon 22301
              atomic nucleus 22301
                atom 22301
                  main group element atom 22181
                    p-block element atom 22181
                      carbon group element atom 21983
                        carbon atom 21923
                          organic molecular entity 21923
                            organic molecule 21749
                              organic cyclic compound 21365
                                organic heterocyclic compound 20379
                                  heteroarene 17926
                                    monocyclic heteroarene 15442
                                      azole 15001
                                        triazoles 8802
                                          1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone 0
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