4-(3,5-dimethyl-1-pyrazolyl)-2-[(4-nitrophenyl)methylthio]-1H-imidazo[4,5-d]pyridazine

SpectraBase Compound ID	CgiaHjrrxtF
InChI	InChI=1S/C17H15N7O2S/c1-10-7-11(2)23(22-10)16-15-14(8-18-21-16)19-17(20-15)27-9-12-3-5-13(6-4-12)24(25)26/h3-8H,9H2,1-2H3,(H,19,20)
InChIKey	OHSBQSDKWNIEGK-UHFFFAOYSA-N Google Search
Mol Weight	381.41 g/mol
Molecular Formula	C17H15N7O2S
Exact Mass	381.100794 g/mol

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SpectraBase Spectrum ID	3dJy927hk7F
Name	4-(3,5-dimethyl-1-pyrazolyl)-2-[(4-nitrophenyl)methylthio]-1H-imidazo[4,5-d]pyridazine
Alternate Name(s)	4-(3,5-dimethylpyrazol-1-yl)-2-[(4-nitrobenzyl)thio]-1H-imidazo[4,5-d]pyridazine 4-(3,5-dimethylpyrazol-1-yl)-2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine
CAS Registry Number	85732-97-4
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H15N7O2S
InChI	InChI=1S/C17H15N7O2S/c1-10-7-11(2)23(22-10)16-15-14(8-18-21-16)19-17(20-15)27-9-12-3-5-13(6-4-12)24(25)26/h3-8H,9H2,1-2H3,(H,19,20)
InChIKey	OHSBQSDKWNIEGK-UHFFFAOYSA-N
Molecular Weight	381.414 g/mol
SMILES	[nH]1c(nc2c1cnnc2-[n]1nc(C)cc1C)SCc1ccc(N(=O)=O)cc1
SPLASH	splash10-001i-0009000000-6ecfb1d41df9ee62674d
Source of Spectrum	Y-20-197-0
Wiley ID	1360092