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Acetamide, N-[5-[[[4-(acetylamino)phenyl]methyl]thio]-1H-1,2,4-triazol-3-yl]-
SpectraBase Compound ID 4snknuVWoP7
InChI InChI=1S/C13H15N5O2S/c1-8(19)14-11-5-3-10(4-6-11)7-21-13-16-12(17-18-13)15-9(2)20/h3-6H,7H2,1-2H3,(H,14,19)(H2,15,16,17,18,20)
InChIKey YESNLECFZWCXFJ-UHFFFAOYSA-N
Mol Weight 305.36 g/mol
Molecular Formula C13H15N5O2S
Exact Mass 305.094646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YpwTX51xoh
Name Acetamide, N-[5-[[[4-(acetylamino)phenyl]methyl]thio]-1H-1,2,4-triazol-3-yl]-
Alternate Name(s) N-(4-(((3-acetamido-1H-1,2,4-triazol-5-yl)thio)methyl)phenyl)acetamide N-(5-{[4-(acetylamino)benzyl]sulfanyl}-1H-1,2,4-triazol-3-yl)acetamide N-[4-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetamide N-[4-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N5O2S
InChI InChI=1S/C13H15N5O2S/c1-8(19)14-11-5-3-10(4-6-11)7-21-13-16-12(17-18-13)15-9(2)20/h3-6H,7H2,1-2H3,(H,14,19)(H2,15,16,17,18,20)
InChIKey YESNLECFZWCXFJ-UHFFFAOYSA-N
Molecular Weight 305.356 g/mol
SMILES N(C(C)=O)c1ccc(CSc2nc(NC(C)=O)n[nH]2)cc1
SPLASH splash10-0a4j-2900000000-75ad130f1633e5420df2
Source of Spectrum JX-2015-2-1796
Wiley ID 1723417