4-chloranyl-7-(3,5-dimethylpyrazol-1-yl)-2-[(3-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine

SpectraBase Compound ID	4KrPLvLZWUv
InChI	InChI=1S/C17H14ClN7O2S/c1-9-6-10(2)24(23-9)16-14-13(15(18)21-22-16)19-17(20-14)28-8-11-4-3-5-12(7-11)25(26)27/h3-7H,8H2,1-2H3,(H,19,20)
InChIKey	ZFEHDYHWCMMYCR-UHFFFAOYSA-N Google Search
Mol Weight	415.86 g/mol
Molecular Formula	C17H14ClN7O2S
Exact Mass	415.061822 g/mol

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SpectraBase Spectrum ID	7sjjPZdc5a1
Name	4-chloranyl-7-(3,5-dimethylpyrazol-1-yl)-2-[(3-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine
CAS Registry Number	85732-86-1
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H14ClN7O2S
InChI	InChI=1S/C17H14ClN7O2S/c1-9-6-10(2)24(23-9)16-14-13(15(18)21-22-16)19-17(20-14)28-8-11-4-3-5-12(7-11)25(26)27/h3-7H,8H2,1-2H3,(H,19,20)
InChIKey	ZFEHDYHWCMMYCR-UHFFFAOYSA-N
Molecular Weight	415.859 g/mol
SMILES	[nH]1c2c(nc1SCc1cc(N(=O)=O)ccc1)c(nnc2-[n]1nc(C)cc1C)Cl
SPLASH	splash10-014j-5000900000-03e8101d821662024194
Source of Spectrum	Y-20-196-0
Synonyms	4-chloro-7-(3,5-dimethyl-1-pyrazolyl)-2-[(3-nitrophenyl)methylthio]-1H-imidazo[4,5-d]pyridazine 4-chloro-7-(3,5-dimethylpyrazol-1-yl)-2-[(3-nitrobenzyl)thio]-1H-imidazo[4,5-d]pyridazine 4-chloro-7-(3,5-dimethylpyrazol-1-yl)-2-[(3-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine
Wiley ID	1375880