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

SpectraBase Compound ID	BQP3h1wFH3Z
InChI	InChI=1S/C17H14Cl2N6S/c1-9-7-10(2)25(24-9)16-14-13(15(19)22-23-16)20-17(21-14)26-8-11-5-3-4-6-12(11)18/h3-7H,8H2,1-2H3,(H,20,21)
InChIKey	YEVHDGHELZVZPC-UHFFFAOYSA-N Google Search
Mol Weight	405.31 g/mol
Molecular Formula	C17H14Cl2N6S
Exact Mass	404.037771 g/mol

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SpectraBase Spectrum ID	Dr7HbRpTjM0
Name	4-chloranyl-2-[(2-chlorophenyl)methylsulfanyl]-7-(3,5-dimethylpyrazol-1-yl)-1H-imidazo[4,5-d]pyridazine
Alternate Name(s)	4-chloro-2-[(2-chlorobenzyl)thio]-7-(3,5-dimethylpyrazol-1-yl)-1H-imidazo[4,5-d]pyridazine 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]-7-(3,5-dimethylpyrazol-1-yl)-1H-imidazo[4,5-d]pyridazine 4-chloro-2-[(2-chlorophenyl)methylthio]-7-(3,5-dimethyl-1-pyrazolyl)-1H-imidazo[4,5-d]pyridazine
CAS Registry Number	85732-84-9
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H14Cl2N6S
InChI	InChI=1S/C17H14Cl2N6S/c1-9-7-10(2)25(24-9)16-14-13(15(19)22-23-16)20-17(21-14)26-8-11-5-3-4-6-12(11)18/h3-7H,8H2,1-2H3,(H,20,21)
InChIKey	YEVHDGHELZVZPC-UHFFFAOYSA-N
Molecular Weight	405.307 g/mol
SMILES	[nH]1c2c(nc1SCc1c(Cl)cccc1)c(nnc2-[n]1nc(C)cc1C)Cl
SPLASH	splash10-0ldi-0005900000-753d76f7f0e2409c1b57
Source of Spectrum	Y-20-195-0
Wiley ID	1371054