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2-[5'-Mercapto-4'-phenyl-4H-(1,2,4)-triazol-3'-yl]-N-(thiazol-2"-yl)-acetamide

View entire compound with spectra: 1 MS (GC)

2-[5'-Mercapto-4'-phenyl-4H-(1,2,4)-triazol-3'-yl]-N-(thiazol-2"-yl)-acetamide
SpectraBase Compound ID 6qHRz2HRgpc
InChI InChI=1S/C13H11N5OS2/c19-11(15-12-14-6-7-21-12)8-10-16-17-13(20)18(10)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,20)(H,14,15,19)
InChIKey WOQIDMXQPXAVME-UHFFFAOYSA-N
Mol Weight 317.38 g/mol
Molecular Formula C13H11N5OS2
Exact Mass 317.040502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hrmsu0aBQ1m
Name 2-[5'-Mercapto-4'-phenyl-4H-(1,2,4)-triazol-3'-yl]-N-(thiazol-2"-yl)-acetamide
Alternate Name(s) 2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-(2-thiazolyl)acetamide 2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide 2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-yl)ethanamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N5OS2
InChI InChI=1S/C13H11N5OS2/c19-11(15-12-14-6-7-21-12)8-10-16-17-13(20)18(10)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,20)(H,14,15,19)
InChIKey WOQIDMXQPXAVME-UHFFFAOYSA-N
Molecular Weight 317.385 g/mol
SMILES Sc1[n](c(CC(Nc2nccs2)=O)nn1)-c1ccccc1
SPLASH splash10-00di-9000000000-407e2d5776423153bf70
Source of Spectrum AH-139-1087-6
Wiley ID 1695745