2-(4-allyl-3-(pyridin-3-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one

SpectraBase Compound ID	IzZ4SYWLn61
InChI	InChI=1S/C16H16N4O3S/c1-2-6-19-14(10-4-3-5-17-8-10)18-20(16(19)24)11-7-12(21)15-22-9-13(11)23-15/h2-5,8,11,13,15H,1,6-7,9H2
InChIKey	ZDZVRFMWBQBFKA-UHFFFAOYSA-N Google Search
Mol Weight	344.39 g/mol
Molecular Formula	C16H16N4O3S
Exact Mass	344.094312 g/mol

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SpectraBase Spectrum ID	AzQOaVFnzIe
Name	2-(4-Allyl-3-pyridin-3-yl-5-thioxo-4,5-dihydro-[1,2,4]triazol-1-yl)-6,8-dioxa-bicyclo[3.2.1]octan-4-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H16N4O3S
InChI	InChI=1S/C16H16N4O3S/c1-2-6-19-14(10-4-3-5-17-8-10)18-20(16(19)24)11-7-12(21)15-22-9-13(11)23-15/h2-5,8,11,13,15H,1,6-7,9H2
InChIKey	ZDZVRFMWBQBFKA-UHFFFAOYSA-N
Molecular Weight	344.389 g/mol
SMILES	c1cncc(C2=NN(C(N2CC=C)=S)C2C3OC(C(C2)=O)OC3)c1
SPLASH	splash10-0006-9360000000-bdd90aa91ad575ff7437
Synonyms	2-(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID	1465048