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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > phthalazines > 2-[[4-(2-chlorophenyl)-5-sulfanylidene-1h-1,2,4-triazol-3-yl]methyl]-1-phthalazinone

Preferred term

2-[[4-(2-chlorophenyl)-5-sulfanylidene-1h-1,2,4-triazol-3-yl]methyl]-1-phthalazinone  

Type

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

Broader concept

charge

  • 0

formula

  • C17H12ClN5OS

inchi

  • InChI=1S/C17H12ClN5OS/c18-13-7-3-4-8-14(13)23-15(20-21-17(23)25)10-22-16(24)12-6-2-1-5-11(12)9-19-22/h1-9H,10H2,(H,21,25)

inchikey

  • XHBITWULKPSTLW-UHFFFAOYSA-N

mass

  • 369.830

monoisotopicmass

  • 369.04511

smiles

  • C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=CC=C4Cl

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107620

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