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1-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-6,7-dicarbonitrile
SpectraBase Compound ID 1jczsahh05S
InChI InChI=1S/C16H6BrN5S/c17-12-3-1-9(2-4-12)15-20-21-16-22(15)13-5-10(7-18)11(8-19)6-14(13)23-16/h1-6H
InChIKey XQLOWHJGAYNTNE-UHFFFAOYSA-N
Mol Weight 380.22 g/mol
Molecular Formula C16H6BrN5S
Exact Mass 378.952729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4gVn57mp5s
Name 1-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-6,7-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H6BrN5S
InChI InChI=1S/C16H6BrN5S/c17-12-3-1-9(2-4-12)15-20-21-16-22(15)13-5-10(7-18)11(8-19)6-14(13)23-16/h1-6H
InChIKey XQLOWHJGAYNTNE-UHFFFAOYSA-N
Molecular Weight 380.223 g/mol
SMILES c1cc(-c2[n]-3c(nn2)Sc2c3cc(c(C#N)c2)C#N)ccc1Br
SPLASH splash10-0059-6906000000-0ff08bc415c6b3d5e108
Synonyms 3-(4-Bromophenyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole-6,7-dicarbonitrile
Wiley ID 1511849