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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organochlorine compound > chlorobenzenes > dichlorobenzene > 3-[5-[(3,4-dichlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > dichlorobenzene > 3-[5-[(3,4-dichlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > dichlorobenzene > 3-[5-[(3,4-dichlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > dichlorobenzene > 3-[5-[(3,4-dichlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > dichlorobenzene > 3-[5-[(3,4-dichlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone

Preferred term

3-[5-[(3,4-dichlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone  

Type

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

Broader concept

charge

  • 0

formula

  • C21H17Cl2N5OS

inchi

  • InChI=1S/C21H17Cl2N5OS/c1-2-27-20(19-18(29)10-11-28(26-19)15-6-4-3-5-7-15)24-25-21(27)30-13-14-8-9-16(22)17(23)12-14/h3-12H,2,13H2,1H3

inchikey

  • LIOAXJASPFPCTE-UHFFFAOYSA-N

mass

  • 458.365

monoisotopicmass

  • 457.05309

smiles

  • CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=NN(C=CC3=O)C4=CC=CC=C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114733

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