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2-[(1-Methyl-4-nitro-5-imidazolyl)thio]-5-(4-methoxyphenyl)-1,3,4-thiadiazole

View entire compound with spectra: 1 MS (GC)

2-[(1-Methyl-4-nitro-5-imidazolyl)thio]-5-(4-methoxyphenyl)-1,3,4-thiadiazole
SpectraBase Compound ID CtzOaPzWa0S
InChI InChI=1S/C13H11N5O3S2/c1-17-7-14-10(18(19)20)12(17)23-13-16-15-11(22-13)8-3-5-9(21-2)6-4-8/h3-7H,1-2H3
InChIKey BSZAADBJVMVRAB-UHFFFAOYSA-N
Mol Weight 349.38 g/mol
Molecular Formula C13H11N5O3S2
Exact Mass 349.030332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rfu6L4iIEr
Name 2-[(1-Methyl-4-nitro-5-imidazolyl)thio]-5-(4-methoxyphenyl)-1,3,4-thiadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N5O3S2
InChI InChI=1S/C13H11N5O3S2/c1-17-7-14-10(18(19)20)12(17)23-13-16-15-11(22-13)8-3-5-9(21-2)6-4-8/h3-7H,1-2H3
InChIKey BSZAADBJVMVRAB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200800022
Molecular Weight 349.383 g/mol
SMILES c1(sc(nn1)-c1ccc(cc1)OC)Sc1c(nc[n]1C)[N+](=O)[O-]
SPLASH splash10-0udi-0908000000-8e52be11f9aea2c5889b
Source of Spectrum APC-341-500-9
Synonyms 2-(4-Methoxyphenyl)-5-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-1,3,4-thiadiazole 2-(4-Methoxyphenyl)-5-[(3-methyl-5-nitro-4-imidazolyl)thio]-1,3,4-thiadiazole 2-(4-Methoxyphenyl)-5-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1,3,4-thiadiazole 2-(4-Methoxyphenyl)-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,3,4-thiadiazole
Wiley ID 1768951