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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:3-[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone
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Accession:CHEBI:105311 term browser browse the term
Definition:An aryl sulfide that has formula C22H21N5OS.
Synonyms:related_synonym: Formula=C22H21N5OS;   InChI=1S/C22H21N5OS/c1-3-26-21(23-24-22(26)29-15-17-11-9-16(2)10-12-17)20-19(28)13-14-27(25-20)18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3;   InChIKey=WQBBOQYKNAHQOL-UHFFFAOYSA-N;   SMILES=CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3=NN(C=CC3=O)C4=CC=CC=C4
 xref: LINCS:LSM-16674


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22210
    chemical entity 22209
      atom 22202
        nonmetal atom 22086
          sulfur atom 18708
            sulfur molecular entity 18708
              organosulfur compound 18121
                organic sulfide 10466
                  aryl sulfide 8643
                    3-[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22210
    subatomic particle 22202
      composite particle 22202
        hadron 22202
          baryon 22202
            nucleon 22202
              atomic nucleus 22202
                atom 22202
                  main group element atom 22136
                    p-block element atom 22136
                      carbon group element atom 21936
                        carbon atom 21861
                          organic molecular entity 21861
                            heteroorganic entity 21517
                              organochalcogen compound 21005
                                organosulfur compound 18121
                                  organic sulfide 10466
                                    aryl sulfide 8643
                                      3-[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone 0
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