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2H-Pyridazin-3-one, 6-[4-(2-chlorophenyl)-5-mercapto-4H-[1,2,4]triazol-3-yl]-
SpectraBase Compound ID 7Oe1bIY8gPw
InChI InChI=1S/C12H8ClN5OS/c13-7-3-1-2-4-9(7)18-11(16-17-12(18)20)8-5-6-10(19)15-14-8/h1-6H,(H,15,19)(H,17,20)
InChIKey HEHXTDQXLGGPSX-UHFFFAOYSA-N
Mol Weight 305.74 g/mol
Molecular Formula C12H8ClN5OS
Exact Mass 305.013809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JbvkoArVOy
Name 2H-Pyridazin-3-one, 6-[4-(2-chlorophenyl)-5-mercapto-4H-[1,2,4]triazol-3-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8ClN5OS
InChI InChI=1S/C12H8ClN5OS/c13-7-3-1-2-4-9(7)18-11(16-17-12(18)20)8-5-6-10(19)15-14-8/h1-6H,(H,15,19)(H,17,20)
InChIKey HEHXTDQXLGGPSX-UHFFFAOYSA-N
Molecular Weight 305.743 g/mol
SMILES Sc1nnc(C2=NNC(C=C2)=O)[n]1-c1c(cccc1)Cl
SPLASH splash10-00dj-9540000000-b453293d8a9a63264b01
Synonyms 3-[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one 3-[4-(2-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
Wiley ID 1447717