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N-(5-[(2-Phenylethyl)sulfanyl]-1H-1,2,4-triazol-3-yl)acetamide
SpectraBase Compound ID BI9eYpt7Xy9
InChI InChI=1S/C12H14N4OS/c1-9(17)13-11-14-12(16-15-11)18-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14,15,16,17)
InChIKey NTMAWJXCFZIAMF-UHFFFAOYSA-N
Mol Weight 262.33 g/mol
Molecular Formula C12H14N4OS
Exact Mass 262.088832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzxAy5d5nvf
Name N-(5-[(2-Phenylethyl)sulfanyl]-1H-1,2,4-triazol-3-yl)acetamide
CAS Registry Number 294876-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N4OS
InChI InChI=1S/C12H14N4OS/c1-9(17)13-11-14-12(16-15-11)18-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14,15,16,17)
InChIKey NTMAWJXCFZIAMF-UHFFFAOYSA-N
Molecular Weight 262.331 g/mol
SMILES [nH]1nc(nc1SCCc1ccccc1)NC(=O)C
SPLASH splash10-0aor-3900000000-af01eb24b9f3d77ab599
Source of Spectrum AD-0-2532-0
Synonyms 1,2,4-Triazole, 3-acetylamino-5-(2-phenylethylthio)- N-(3-phenethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide N-[3-(phenethylthio)-1H-1,2,4-triazol-5-yl]acetamide N-[3-(2-phenylethylthio)-1H-1,2,4-triazol-5-yl]acetamide N-[3-(2-phenylethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
Wiley ID 1424537