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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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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          sulfur atom 0
            sulfur molecular entity 0
              organosulfur compound 0
                organic sulfide 0
                  aryl sulfide 0
                    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 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organosulfur compound 0
                                  organic sulfide 0
                                    aryl sulfide 0
                                      3-[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone 0
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