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N-[2-(3-bromobenzoyl)-5,5-dioxido-2,3-dihydro[1,2,4]triazolo[4,3-b][1,2]benzisothiazol-3-yl]-N,N-dimethylamine

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N-[2-(3-bromobenzoyl)-5,5-dioxido-2,3-dihydro[1,2,4]triazolo[4,3-b][1,2]benzisothiazol-3-yl]-N,N-dimethylamine
SpectraBase Compound ID DtzBN5yl98T
InChI InChI=1S/C17H15BrN4O3S/c1-20(2)17-21(16(23)11-6-5-7-12(18)10-11)19-15-13-8-3-4-9-14(13)26(24,25)22(15)17/h3-10,17H,1-2H3
InChIKey WGTPEVSJZGBYDH-UHFFFAOYSA-N
Mol Weight 435.3 g/mol
Molecular Formula C17H15BrN4O3S
Exact Mass 434.004825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArldeCNdNN2
Name (3-bromophenyl)-[3-(dimethylamino)-5,5-bis(oxidanylidene)-3H-[1,2,4]triazolo[4,3-b][1,2]benzothiazol-2-yl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15BrN4O3S
InChI InChI=1S/C17H15BrN4O3S/c1-20(2)17-21(16(23)11-6-5-7-12(18)10-11)19-15-13-8-3-4-9-14(13)26(24,25)22(15)17/h3-10,17H,1-2H3
InChIKey WGTPEVSJZGBYDH-UHFFFAOYSA-N
Molecular Weight 435.296 g/mol
SMILES c1ccc2c(S(N3C2=NN(C3N(C)C)C(c2cc(Br)ccc2)=O)(=O)=O)c1
SPLASH splash10-0006-9501000000-7f53ee72ae3224294cd4
Synonyms (3-bromophenyl)-[3-(dimethylamino)-5,5-diketo-3H-[1,2,4]triazolo[4,3-b][1,2]benzothiazol-2-yl]methanone (3-bromophenyl)-[3-(dimethylamino)-5,5-dioxo-3H-[1,2,4]triazolo[4,3-b][1,2]benzothiazol-2-yl]methanone
Wiley ID 1445105