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2-(5-Amino-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-chloro-phenyl)-acetamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(5-Amino-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-chloro-phenyl)-acetamide
SpectraBase Compound ID 4kCouZY9fFA
InChI InChI=1S/C16H14ClN5OS/c17-11-6-8-12(9-7-11)19-14(23)10-24-16-21-20-15(18)22(16)13-4-2-1-3-5-13/h1-9H,10H2,(H2,18,20)(H,19,23)
InChIKey AOEBVINFXLAMJN-UHFFFAOYSA-N
Mol Weight 359.84 g/mol
Molecular Formula C16H14ClN5OS
Exact Mass 359.060759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6k063m9jbEd
Name 2-(5-Amino-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-chloro-phenyl)-acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClN5OS
InChI InChI=1S/C16H14ClN5OS/c17-11-6-8-12(9-7-11)19-14(23)10-24-16-21-20-15(18)22(16)13-4-2-1-3-5-13/h1-9H,10H2,(H2,18,20)(H,19,23)
InChIKey AOEBVINFXLAMJN-UHFFFAOYSA-N
Molecular Weight 359.835 g/mol
SMILES Nc1[n](c(SCC(Nc2ccc(cc2)Cl)=O)nn1)-c1ccccc1
SPLASH splash10-001i-1690000000-db7ebe825fec64282500
Synonyms 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-chlorophenyl)acetamide 2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)ethanamide
Wiley ID 1437594