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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:4-(2,5-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
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Accession:CHEBI:114661 term browser browse the term
Definition:A pyrazole that has formula C19H17N5O2S.
Synonyms:related_synonym: Formula=C19H17N5O2S;   InChI=1S/C19H17N5O2S/c1-25-13-8-9-17(26-2)16(10-13)24-18(22-23-19(24)27)15-11-14(20-21-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21)(H,23,27);   InChIKey=RWFZAKSDPNBBPR-UHFFFAOYSA-N;   SMILES=COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4
 xref: LINCS:LSM-26123

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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          molecule 0
            cyclic compound 0
              ring assembly 0
                4-(2,5-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione 0
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  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
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                          organic molecular entity 0
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                              organic cyclic compound 0
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                                  heteroarene 0
                                    monocyclic heteroarene 0
                                      azole 0
                                        diazole 0
                                          pyrazoles 0
                                            4-(2,5-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione 0
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