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N-[3-({2-[Benzoylamino]-1,3-thiazol-4-yl}methyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzamide
SpectraBase Compound ID B7Fy427HEZm
InChI InChI=1S/C20H16N6O2S2/c27-17(13-7-3-1-4-8-13)22-19-21-15(12-30-19)11-16-23-24-20(29)26(16)25-18(28)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,24,29)(H,25,28)(H,21,22,27)
InChIKey AWGZLVOZDDBKNB-UHFFFAOYSA-N
Mol Weight 436.51 g/mol
Molecular Formula C20H16N6O2S2
Exact Mass 436.077616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5YyRs8areO
Name N-[3-({2-[Benzoylamino]-1,3-thiazol-4-yl}methyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzamide
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Formula C20H16N6O2S2
InChI InChI=1S/C20H16N6O2S2/c27-17(13-7-3-1-4-8-13)22-19-21-15(12-30-19)11-16-23-24-20(29)26(16)25-18(28)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,24,29)(H,25,28)(H,21,22,27)
InChIKey AWGZLVOZDDBKNB-UHFFFAOYSA-N
Molecular Weight 436.508 g/mol
SMILES Sc1nnc([n]1NC(=O)c1ccccc1)Cc1nc(NC(=O)c2ccccc2)sc1
SPLASH splash10-06ri-0691700000-f4d1670d7b8780591d7e
Source of Spectrum EMC-42-810-2c
Synonyms N-(4-((4-benzamido-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)thiazol-2-yl)benzamide N-[4-[(4-benzamido-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-thiazolyl]benzamide N-[4-[(4-benzamido-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide
Wiley ID 1735088