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2-[3'-[4"-(Naphthalen-2''-yl)methyl]-1',1',3'-trioxo-1-.lambda( 6).,2,5-thiadiazolan-2'-yl]-(phenyl)acetamide
SpectraBase Compound ID 5pSlTLTNtFO
InChI InChI=1S/C21H19N3O4S/c22-20(25)13-14-4-3-7-18(11-14)24-21(26)19(23-29(24,27)28)12-15-8-9-16-5-1-2-6-17(16)10-15/h1-11,19,23H,12-13H2,(H2,22,25)
InChIKey PBGYRPFHQDHGAB-UHFFFAOYSA-N
Mol Weight 409.46 g/mol
Molecular Formula C21H19N3O4S
Exact Mass 409.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMss95BmufE
Name 2-[3'-[4"-(Naphthalen-2''-yl)methyl]-1',1',3'-trioxo-1-.lambda( 6).,2,5-thiadiazolan-2'-yl]-(phenyl)acetamide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O4S
InChI InChI=1S/C21H19N3O4S/c22-20(25)13-14-4-3-7-18(11-14)24-21(26)19(23-29(24,27)28)12-15-8-9-16-5-1-2-6-17(16)10-15/h1-11,19,23H,12-13H2,(H2,22,25)
InChIKey PBGYRPFHQDHGAB-UHFFFAOYSA-N
Molecular Weight 409.460 g/mol
SMILES N1C(C(N(c2cc(CC(=O)N)ccc2)S1(=O)=O)=O)Cc1cc2ccccc2cc1
SPLASH splash10-0006-0900000000-c106c96f1002a2a48098
Source of Spectrum H-82-2443-2
Synonyms 2-[3'-[4''-(Naphthalen-2''-yl)methyl]-1',1',3'-trioxo-1-lambda(6)-[1,2,5-thiadiazolan-2'-yl]-(phenyl)acetamide
Wiley ID 815737