2-((3-oxo-1-(6-oxo-5,6-dihydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-3-phenylpropyl)thio)acetic acid

SpectraBase Compound ID	HP7D5Ge6zN
InChI	InChI=1S/C20H16N4O4S/c25-15(12-6-2-1-3-7-12)10-16(29-11-17(26)27)19-22-21-18-13-8-4-5-9-14(13)20(28)23-24(18)19/h1-9,16H,10-11H2,(H,23,28)(H,26,27)
InChIKey	MHQNTFGNDLXFIE-UHFFFAOYSA-N Google Search
Mol Weight	408.43 g/mol
Molecular Formula	C20H16N4O4S
Exact Mass	408.089226 g/mol

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SpectraBase Spectrum ID	5fSzFf4uxz5
Name	2-(3-oxo-1-(6-oxo-5,6-dihydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-3-phenylpropylthio)acetic acid
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H16N4O4S
InChI	InChI=1S/C20H16N4O4S/c25-15(12-6-2-1-3-7-12)10-16(29-11-17(26)27)19-22-21-18-13-8-4-5-9-14(13)20(28)23-24(18)19/h1-9,16H,10-11H2,(H,23,28)(H,26,27)
InChIKey	MHQNTFGNDLXFIE-UHFFFAOYSA-N
Literature Reference DOI	10.1002/ardp.201100053
Molecular Weight	408.432 g/mol
SMILES	OC(CSC(c1[n]2c(nn1)-c1ccccc1C(N2)=O)CC(c1ccccc1)=O)=O
SPLASH	splash10-000i-2691000000-46bb5f1eebc99bad054a
Source of Spectrum	APC-344-539-13a
Synonyms	2-((3-oxo-1-(6-oxo-5,6-dihydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-3-phenylpropyl)thio)acetic acid
Wiley ID	1769260