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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > 4-(2-bromo-4-methylphenyl)-3-[5-(2-furanyl)-1h-pyrazol-3-yl]-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > 4-(2-bromo-4-methylphenyl)-3-[5-(2-furanyl)-1h-pyrazol-3-yl]-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-(2-bromo-4-methylphenyl)-3-[5-(2-furanyl)-1h-pyrazol-3-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 > triazoles > 4-(2-bromo-4-methylphenyl)-3-[5-(2-furanyl)-1h-pyrazol-3-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 > triazoles > 4-(2-bromo-4-methylphenyl)-3-[5-(2-furanyl)-1h-pyrazol-3-yl]-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-(2-bromo-4-methylphenyl)-3-[5-(2-furanyl)-1h-pyrazol-3-yl]-1h-1,2,4-triazole-5-thione

Preferred term

4-(2-bromo-4-methylphenyl)-3-[5-(2-furanyl)-1h-pyrazol-3-yl]-1h-1,2,4-triazole-5-thione  

Type

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

Broader concept

charge

  • 0

formula

  • C16H12BrN5OS

inchi

  • InChI=1S/C16H12BrN5OS/c1-9-4-5-13(10(17)7-9)22-15(20-21-16(22)24)12-8-11(18-19-12)14-3-2-6-23-14/h2-8H,1H3,(H,18,19)(H,21,24)

inchikey

  • ZPOMFEHBKFPZBT-UHFFFAOYSA-N

mass

  • 402.270

monoisotopicmass

  • 400.99459

smiles

  • CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4)Br

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112961

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