CHEBI:107620 - 2-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone
ChEBI ID CHEBI:107620
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H12ClN5OS
Net Charge 0
Average Mass 369.830
Monoisotopic Mass 369.04511
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
SMILES C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=CC=C4Cl
ChEBI Ontology
Outgoing 2-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone (CHEBI:107620) is a phthalazines (CHEBI:38768)
Manual Xref Database
LSM-18976 LINCS
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