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4-((1-Methyl tetrazol-5-yl)sulfanyl methyl)-3-(4-nitrobenzyl)-2,3-dihydrothiazol-2-thione
SpectraBase Compound ID I0ULhq0YS8x
InChI InChI=1S/C13H12N6O2S3/c1-17-12(14-15-16-17)23-7-11-8-24-13(22)18(11)6-9-2-4-10(5-3-9)19(20)21/h2-5,8H,6-7H2,1H3
InChIKey QKUCNKYIAMSQRK-UHFFFAOYSA-N
Mol Weight 380.46 g/mol
Molecular Formula C13H12N6O2S3
Exact Mass 380.018387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HYXqbUzoIU
Name 4-((1-Methyl tetrazol-5-yl)sulfanyl methyl)-3-(4-nitrobenzyl)-2,3-dihydrothiazol-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N6O2S3
InChI InChI=1S/C13H12N6O2S3/c1-17-12(14-15-16-17)23-7-11-8-24-13(22)18(11)6-9-2-4-10(5-3-9)19(20)21/h2-5,8H,6-7H2,1H3
InChIKey QKUCNKYIAMSQRK-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200004)342_4_355
Molecular Weight 380.459 g/mol
SMILES C(N1C(=S)SC=C1CSc1nnn[n]1C)c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-00nr-7957000000-a081ee6bc2a84efc9115
Source of Spectrum JF-342-364-8b
Synonyms 4-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-3-(4-nitrobenzyl)thiazole-2(3H)-thione
Wiley ID 1766962