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3-[[2-[5-CHLORO-1-(PHENYLMETHYL)-1-H-1,2,3-TRIAZOL-4-YL]-2-OXOETHYL]-THIO]-N-PHENYLPROPANAMIDE

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3-[[2-[5-CHLORO-1-(PHENYLMETHYL)-1-H-1,2,3-TRIAZOL-4-YL]-2-OXOETHYL]-THIO]-N-PHENYLPROPANAMIDE
SpectraBase Compound ID LNHhlaapRKK
InChI InChI=1S/C20H19ClN4O2S/c21-20-19(23-24-25(20)13-15-7-3-1-4-8-15)17(26)14-28-12-11-18(27)22-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,22,27)
InChIKey VYRFLFZCYFQTPO-UHFFFAOYSA-N
Mol Weight 414.91 g/mol
Molecular Formula C20H19ClN4O2S
Exact Mass 414.091725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6FgWNiphQK
Name 3-[2-(1-benzyl-5-chloro-triazol-4-yl)-2-oxo-ethyl]sulfanyl-N-phenyl-propanamide
CAS Registry Number 129609-43-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClN4O2S
InChI InChI=1S/C20H19ClN4O2S/c21-20-19(23-24-25(20)13-15-7-3-1-4-8-15)17(26)14-28-12-11-18(27)22-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,22,27)
InChIKey VYRFLFZCYFQTPO-UHFFFAOYSA-N
Molecular Weight 414.911 g/mol
SMILES N(C(CCSCC(c1c([n](Cc2ccccc2)nn1)Cl)=O)=O)c1ccccc1
SPLASH splash10-0006-9000100000-473b6858de90935ab342
Source of Spectrum Y-27-1142-17
Synonyms 3-[2-[5-chloranyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-propanamide 3-[[2-(1-benzyl-5-chloro-triazol-4-yl)-2-keto-ethyl]thio]-N-phenyl-propionamide 3-[[2-[5-chloro-1-(phenylmethyl)-4-triazolyl]-2-oxoethyl]thio]-N-phenylpropanamide
Wiley ID 1375264