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N-(1-oxyl-2,2,5,5-tetramethylpyrrolin-3-yl)-N'-(3-p-chlorophenyl-5-mercapto-1,2,4-triazol-4-yl)urea
SpectraBase Compound ID 5xL7c3LV81G
InChI InChI=1S/C17H20ClN6O2S/c1-16(2)9-12(17(3,4)24(16)26)19-14(25)22-23-13(20-21-15(23)27)10-5-7-11(18)8-6-10/h5-9H,1-4H3,(H,21,27)(H2,19,22,25)
InChIKey BJNMQVDMSAUEAU-UHFFFAOYSA-N
Mol Weight 408.91 g/mol
Molecular Formula C17H21ClN6O2S
Exact Mass 408.113523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdF5U1XuD9s
Name N-(1-oxyl-2,2,5,5-tetramethylpyrrolin-3-yl)-N'-(3-p-chlorophenyl-5-mercapto-1,2,4-triazol-4-yl)urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20ClN6O2S
InChI InChI=1S/C17H20ClN6O2S/c1-16(2)9-12(17(3,4)24(16)26)19-14(25)22-23-13(20-21-15(23)27)10-5-7-11(18)8-6-10/h5-9H,1-4H3,(H,21,27)(H2,19,22,25)
InChIKey BJNMQVDMSAUEAU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200000174
Molecular Weight 408.908 g/mol
SMILES N(C1=CC(N(C1(C)C)O)(C)C)C(N[n]1c(nnc1S)-c1ccc(cc1)Cl)=O
SPLASH splash10-004r-0940000000-25fe2b0528eb2d56d6dd
Source of Spectrum QA-47-1265-3e
Synonyms 1-(3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)-3-(2,2,5,5-tetramethyl-1-(lambda1-oxidaneyl)-2,5-dihydro-1H-pyrrol-3-yl)urea
Wiley ID 1795197