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N-(1-oxyl-2,2,5,5-tetramethylpyrrolin-3-yl)-N'-(3-p-methylphenyl-5-mercapto-1,2,4-triazol-4-yl)urea
SpectraBase Compound ID I9Wl4Xw9LGt
InChI InChI=1S/C18H23N6O2S/c1-11-6-8-12(9-7-11)14-20-21-16(27)23(14)22-15(25)19-13-10-17(2,3)24(26)18(13,4)5/h6-10H,1-5H3,(H,21,27)(H2,19,22,25)
InChIKey XRFPBOGZGFQNFX-UHFFFAOYSA-N
Mol Weight 388.49 g/mol
Molecular Formula C18H24N6O2S
Exact Mass 388.168145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkUNbnOFbJv
Name N-(1-oxyl-2,2,5,5-tetramethylpyrrolin-3-yl)-N'-(3-p-methylphenyl-5-mercapto-1,2,4-triazol-4-yl)urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N6O2S
InChI InChI=1S/C18H23N6O2S/c1-11-6-8-12(9-7-11)14-20-21-16(27)23(14)22-15(25)19-13-10-17(2,3)24(26)18(13,4)5/h6-10H,1-5H3,(H,21,27)(H2,19,22,25)
InChIKey XRFPBOGZGFQNFX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200000174
Molecular Weight 388.490 g/mol
SMILES N(C1=CC(N(C1(C)C)O)(C)C)C(N[n]1c(nnc1S)-c1ccc(cc1)C)=O
SPLASH splash10-0006-9540000000-782551be9550855f59e3
Source of Spectrum QA-47-1266-3h
Synonyms 1-(3-mercapto-5-(p-tolyl)-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 1795200