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N-{3-({2-[(Benzoyl)amino]-1,3-thiazol-4-yl}methyl)-5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}benzamide
SpectraBase Compound ID 213lvW68kgN
InChI InChI=1S/C22H17N7O2S2/c23-11-12-32-22-27-26-18(29(22)28-20(31)16-9-5-2-6-10-16)13-17-14-33-21(24-17)25-19(30)15-7-3-1-4-8-15/h1-10,14H,12-13H2,(H,28,31)(H,24,25,30)
InChIKey QCPPFYUIILHREE-UHFFFAOYSA-N
Mol Weight 475.55 g/mol
Molecular Formula C22H17N7O2S2
Exact Mass 475.088515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHJ1FRWrUyL
Name N-{3-({2-[(Benzoyl)amino]-1,3-thiazol-4-yl}methyl)-5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}benzamide
Alternate Name(s) N-(4-((4-benzamido-5-((cyanomethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)thiazol-2-yl)benzamide N-[4-[[4-benzamido-5-(cyanomethylthio)-1,2,4-triazol-3-yl]methyl]-2-thiazolyl]benzamide N-[4-[[4-benzamido-5-(cyanomethylsulfanyl)-1,2,4-triazol-3-yl]methyl]thiazol-2-yl]benzamide N-[4-[[4-benzamido-5-(cyanomethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]benzamide
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Formula C22H17N7O2S2
InChI InChI=1S/C22H17N7O2S2/c23-11-12-32-22-27-26-18(29(22)28-20(31)16-9-5-2-6-10-16)13-17-14-33-21(24-17)25-19(30)15-7-3-1-4-8-15/h1-10,14H,12-13H2,(H,28,31)(H,24,25,30)
InChIKey QCPPFYUIILHREE-UHFFFAOYSA-N
Molecular Weight 475.545 g/mol
SMILES N(c1nc(Cc2[n](c(nn2)SCC#N)NC(=O)c2ccccc2)cs1)C(=O)c1ccccc1
SPLASH splash10-00fr-0091700000-ec46f7ec5684623b15ca
Source of Spectrum EMC-42-811-4c
Wiley ID 1735091