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N-(1-oxyl-2,2,5,5-tetramethylpyrrolin-3-yl)-N'-(3-p-methoxyphenyl-5-mercapto-1,2,4-triazol-4-yl)urea
SpectraBase Compound ID 9vdZ9eKBFUh
InChI InChI=1S/C18H23N6O3S/c1-17(2)10-13(18(3,4)24(17)26)19-15(25)22-23-14(20-21-16(23)28)11-6-8-12(27-5)9-7-11/h6-10H,1-5H3,(H,21,28)(H2,19,22,25)
InChIKey XHHMHXSDHHSAAU-UHFFFAOYSA-N
Mol Weight 404.49 g/mol
Molecular Formula C18H24N6O3S
Exact Mass 404.16306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IHYv1UxGPj
Name N-(1-oxyl-2,2,5,5-tetramethylpyrrolin-3-yl)-N'-(3-p-methoxyphenyl-5-mercapto-1,2,4-triazol-4-yl)urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N6O3S
InChI InChI=1S/C18H23N6O3S/c1-17(2)10-13(18(3,4)24(17)26)19-15(25)22-23-14(20-21-16(23)28)11-6-8-12(27-5)9-7-11/h6-10H,1-5H3,(H,21,28)(H2,19,22,25)
InChIKey XHHMHXSDHHSAAU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200000174
Molecular Weight 404.489 g/mol
SMILES N(C1=CC(N(C1(C)C)O)(C)C)C(N[n]1c(nnc1S)-c1ccc(cc1)OC)=O
SPLASH splash10-0ff3-2950000000-8845ae8db71591105ae5
Source of Spectrum QA-47-1266-3i
Synonyms 1-(3-mercapto-5-(4-methoxyphenyl)-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 1795201