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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 4-(2,5-dimethoxyphenyl)-3-(3-phenyl-1h-pyrazol-5-yl)-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 4-(2,5-dimethoxyphenyl)-3-(3-phenyl-1h-pyrazol-5-yl)-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 4-(2,5-dimethoxyphenyl)-3-(3-phenyl-1h-pyrazol-5-yl)-1h-1,2,4-triazole-5-thione

Preferred term

4-(2,5-dimethoxyphenyl)-3-(3-phenyl-1h-pyrazol-5-yl)-1h-1,2,4-triazole-5-thione  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C19H17N5O2S

inchi

  • 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

mass

  • 379.437

monoisotopicmass

  • 379.11030

smiles

  • COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114661

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