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3-(5-Mercapto-4H-1,2,4-triazol-3-yl)-1,5-diphenyl-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID C0k1YXSQS7A
InChI InChI=1S/C18H12N6S/c19-11-14-15(17-20-18(25)22-21-17)23-24(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,(H2,20,21,22,25)
InChIKey PISMIYCFQCATHT-UHFFFAOYSA-N
Mol Weight 344.4 g/mol
Molecular Formula C18H12N6S
Exact Mass 344.084416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2pjwN0VHm9
Name 3-(5-Mercapto-4H-1,2,4-triazol-3-yl)-1,5-diphenyl-1H-pyrazole-4-carbonitrile
Alternate Name(s) 1,5-Diphenyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-4-pyrazolecarbonitrile 1,5-Diphenyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N6S
InChI InChI=1S/C18H12N6S/c19-11-14-15(17-20-18(25)22-21-17)23-24(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,(H2,20,21,22,25)
InChIKey PISMIYCFQCATHT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200900176
Molecular Weight 344.396 g/mol
SMILES Sc1nnc(-c2c(C#N)c(-c3ccccc3)[n](-c3ccccc3)n2)[nH]1
SPLASH splash10-00pi-8709000000-0566fb18349cf41ebb53
Source of Spectrum APC-343-392-4
Wiley ID 1769075