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3-(5-Mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)-1,5-diphenyl-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID 9BiciC3xwsk
InChI InChI=1S/C24H16N6S/c25-16-20-21(23-26-27-24(31)29(23)18-12-6-2-7-13-18)28-30(19-14-8-3-9-15-19)22(20)17-10-4-1-5-11-17/h1-15H,(H,27,31)
InChIKey IOSJNYJXYUEDNL-UHFFFAOYSA-N
Mol Weight 420.49 g/mol
Molecular Formula C24H16N6S
Exact Mass 420.115716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30Z1vtqa2PZ
Name 3-(5-Mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)-1,5-diphenyl-1H-pyrazole-4-carbonitrile
Alternate Name(s) 1,5-Diphenyl-3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-4-pyrazolecarbonitrile 1,5-Diphenyl-3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16N6S
InChI InChI=1S/C24H16N6S/c25-16-20-21(23-26-27-24(31)29(23)18-12-6-2-7-13-18)28-30(19-14-8-3-9-15-19)22(20)17-10-4-1-5-11-17/h1-15H,(H,27,31)
InChIKey IOSJNYJXYUEDNL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200900176
Molecular Weight 420.494 g/mol
SMILES Sc1[n](c(nn1)-c1c(c([n](n1)-c1ccccc1)-c1ccccc1)C#N)-c1ccccc1
SPLASH splash10-00b9-9030500000-567eddb620c84cf8a952
Source of Spectrum APC-343-392-6
Wiley ID 1769077