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N-[3-(4-Acetylamino-5-cyanomethylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)-4,5, 6,7-tetrahydro-benzo[b]thiophen-2-yl]-2-chloroacetamide
SpectraBase Compound ID 971hbrZugfT
InChI InChI=1S/C17H19ClN6O2S2/c1-10(25)23-24-14(21-22-17(24)27-7-6-19)8-12-11-4-2-3-5-13(11)28-16(12)20-15(26)9-18/h2-5,7-9H2,1H3,(H,20,26)(H,23,25)
InChIKey YOOLJWCJXSFKSE-UHFFFAOYSA-N
Mol Weight 438.95 g/mol
Molecular Formula C17H19ClN6O2S2
Exact Mass 438.069944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzqP3tYDFYz
Name N-[3-(4-Acetylamino-5-cyanomethylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)-4,5, 6,7-tetrahydro-benzo[b]thiophen-2-yl]-2-chloroacetamide
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Formula C17H19ClN6O2S2
InChI InChI=1S/C17H19ClN6O2S2/c1-10(25)23-24-14(21-22-17(24)27-7-6-19)8-12-11-4-2-3-5-13(11)28-16(12)20-15(26)9-18/h2-5,7-9H2,1H3,(H,20,26)(H,23,25)
InChIKey YOOLJWCJXSFKSE-UHFFFAOYSA-N
Molecular Weight 438.952 g/mol
SMILES N(c1c(Cc2[n](c(nn2)SCC#N)NC(=O)C)c2c(s1)CCCC2)C(=O)CCl
SPLASH splash10-00di-2083900000-cd1c72922c03b89e48ef
Source of Spectrum F2-46-2070-5l
Synonyms N-[3-[[4-acetamido-5-(cyanomethylthio)-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide N-[3-[[4-acetamido-5-(cyanomethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide N-[3-[[4-acetamido-5-(cyanomethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-chloro-acetamide N-[3-[[4-acetamido-5-(cyanomethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloranyl-ethanamide
Wiley ID 1689587