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N-{3-({2-[(Acetyl)amino]-1,3-thiazol-4-yl}methyl)-5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}benzamide
SpectraBase Compound ID 4xDcttW2TTf
InChI InChI=1S/C17H15N7O2S2/c1-11(25)19-16-20-13(10-28-16)9-14-21-22-17(27-8-7-18)24(14)23-15(26)12-5-3-2-4-6-12/h2-6,10H,8-9H2,1H3,(H,23,26)(H,19,20,25)
InChIKey WDIWPOWDVBIWKH-UHFFFAOYSA-N
Mol Weight 413.47 g/mol
Molecular Formula C17H15N7O2S2
Exact Mass 413.072865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPPzyo0P0ZP
Name N-{3-({2-[(Acetyl)amino]-1,3-thiazol-4-yl}methyl)-5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}benzamide
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Formula C17H15N7O2S2
InChI InChI=1S/C17H15N7O2S2/c1-11(25)19-16-20-13(10-28-16)9-14-21-22-17(27-8-7-18)24(14)23-15(26)12-5-3-2-4-6-12/h2-6,10H,8-9H2,1H3,(H,23,26)(H,19,20,25)
InChIKey WDIWPOWDVBIWKH-UHFFFAOYSA-N
Molecular Weight 413.474 g/mol
SMILES N(c1nc(Cc2[n](c(nn2)SCC#N)NC(=O)c2ccccc2)cs1)C(=O)C
SPLASH splash10-03k9-3063900000-ccbfa348ea0561b7930f
Source of Spectrum EMC-42-811-4b
Synonyms N-(3-((2-acetamidothiazol-4-yl)methyl)-5-((cyanomethyl)thio)-4H-1,2,4-triazol-4-yl)benzamide N-[3-[(2-acetamido-4-thiazolyl)methyl]-5-(cyanomethylthio)-1,2,4-triazol-4-yl]benzamide N-[3-[(2-acetamidothiazol-4-yl)methyl]-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]benzamide N-[3-[(2-acetamido-1,3-thiazol-4-yl)methyl]-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]benzamide
Wiley ID 1735083