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

SpectraBase Compound ID	8rhd1itE5Hv
InChI	InChI=1S/C16H14ClN7S/c1-9-6-10(2)24(23-9)15-13-12(14(17)21-22-15)19-16(20-13)25-8-11-4-3-5-18-7-11/h3-7H,8H2,1-2H3,(H,19,20)
InChIKey	BVEUZDCSYZZOOK-UHFFFAOYSA-N Google Search
Mol Weight	371.85 g/mol
Molecular Formula	C16H14ClN7S
Exact Mass	371.071992 g/mol

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SpectraBase Spectrum ID	B1MI245NTay
Name	4-chloranyl-7-(3,5-dimethylpyrazol-1-yl)-2-(pyridin-3-ylmethylsulfanyl)-1H-imidazo[4,5-d]pyridazine
CAS Registry Number	85732-89-4
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H14ClN7S
InChI	InChI=1S/C16H14ClN7S/c1-9-6-10(2)24(23-9)15-13-12(14(17)21-22-15)19-16(20-13)25-8-11-4-3-5-18-7-11/h3-7H,8H2,1-2H3,(H,19,20)
InChIKey	BVEUZDCSYZZOOK-UHFFFAOYSA-N
Molecular Weight	371.850 g/mol
SMILES	[nH]1c2c(nc1SCc1cnccc1)c(nnc2-[n]1nc(C)cc1C)Cl
SPLASH	splash10-00di-0009000000-7978580c1e7c911172be
Source of Spectrum	Y-20-196-0
Synonyms	4-chloro-7-(3,5-dimethyl-1-pyrazolyl)-2-(3-pyridinylmethylthio)-1H-imidazo[4,5-d]pyridazine 4-chloro-7-(3,5-dimethylpyrazol-1-yl)-2-(3-pyridylmethylsulfanyl)-1H-imidazo[4,5-d]pyridazine 4-chloro-7-(3,5-dimethylpyrazol-1-yl)-2-(3-pyridylmethylthio)-1H-imidazo[4,5-d]pyridazine 4-chloro-7-(3,5-dimethylpyrazol-1-yl)-2-(pyridin-3-ylmethylsulfanyl)-1H-imidazo[4,5-d]pyridazine
Wiley ID	1354844