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[1,2,4]Triazolo[3,4-b][1,3,4]thiadiazole, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyridinyl)-
SpectraBase Compound ID 8ERYEdQQk5o
InChI InChI=1S/C16H11N5O2S/c1-2-11(9-17-5-1)14-18-19-16-21(14)20-15(24-16)10-3-4-12-13(8-10)23-7-6-22-12/h1-5,8-9H,6-7H2
InChIKey TYYAYUJHKZXXCP-UHFFFAOYSA-N
Mol Weight 337.36 g/mol
Molecular Formula C16H11N5O2S
Exact Mass 337.063346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 277WTm5ipIk
Name [1,2,4]Triazolo[3,4-b][1,3,4]thiadiazole, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyridinyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N5O2S
InChI InChI=1S/C16H11N5O2S/c1-2-11(9-17-5-1)14-18-19-16-21(14)20-15(24-16)10-3-4-12-13(8-10)23-7-6-22-12/h1-5,8-9H,6-7H2
InChIKey TYYAYUJHKZXXCP-UHFFFAOYSA-N
Molecular Weight 337.357 g/mol
SMILES c1cncc(-c2[n]3c(SC(=N3)c3cc4c(OCCO4)cc3)nn2)c1
SPLASH splash10-004r-4903000000-a01ac7e77b4662525bbe
Source of Spectrum IY-2-4791-4
Synonyms 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Wiley ID 1655897