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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 > n-(4-bromophenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > n-(4-bromophenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > n-(4-bromophenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > n-(4-bromophenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > n-(4-bromophenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > n-(4-bromophenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide

Preferred term

n-(4-bromophenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H16BrClN4OS

inchi

  • InChI=1S/C22H16BrClN4OS/c23-15-10-12-16(13-11-15)25-20(29)14-30-22-27-26-21(18-8-4-5-9-19(18)24)28(22)17-6-2-1-3-7-17/h1-13H,14H2,(H,25,29)

inchikey

  • OZKZBESQIKFNJU-UHFFFAOYSA-N

mass

  • 499.812

monoisotopicmass

  • 497.99167

smiles

  • C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4Cl

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:93941

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