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1,3-Benzothiazole, 2-[2-[3-(3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]-
SpectraBase Compound ID CVKxigU0Ylc
InChI InChI=1S/C21H12N6S2/c1-2-8-15(14(7-1)19-23-16-9-3-4-10-17(16)28-19)20-26-27-18(24-25-21(27)29-20)13-6-5-11-22-12-13/h1-12H
InChIKey DTZGVLHYGSDFMX-UHFFFAOYSA-N
Mol Weight 412.49 g/mol
Molecular Formula C21H12N6S2
Exact Mass 412.056487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrQwu9iTJHw
Name 1,3-Benzothiazole, 2-[2-[3-(3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H12N6S2
InChI InChI=1S/C21H12N6S2/c1-2-8-15(14(7-1)19-23-16-9-3-4-10-17(16)28-19)20-26-27-18(24-25-21(27)29-20)13-6-5-11-22-12-13/h1-12H
InChIKey DTZGVLHYGSDFMX-UHFFFAOYSA-N
Molecular Weight 412.489 g/mol
SMILES c12ccccc1nc(s2)-c1ccccc1C1=N[n]2c(nnc2-c2cnccc2)S1
SPLASH splash10-0mxr-9541100000-407e9d2f8e9fd6dcff03
Source of Spectrum IY-2-4967-1
Synonyms 2-{2-[3-(pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl}-1,3-benzothiazole 2-[2-[3-(3-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]-1,3-benzothiazole 2-[2-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1,3-benzothiazole
Wiley ID 1657654