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3-(5-(Methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-1,5-diphenyl-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID DKgWqzzzyC4
InChI InChI=1S/C25H18N6S/c1-32-25-28-27-24(30(25)19-13-7-3-8-14-19)22-21(17-26)23(18-11-5-2-6-12-18)31(29-22)20-15-9-4-10-16-20/h2-16H,1H3
InChIKey LITKRANFQZVGSM-UHFFFAOYSA-N
Mol Weight 434.52 g/mol
Molecular Formula C25H18N6S
Exact Mass 434.131366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hngLsOlUgZ
Name 3-(5-(Methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-1,5-diphenyl-1H-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18N6S
InChI InChI=1S/C25H18N6S/c1-32-25-28-27-24(30(25)19-13-7-3-8-14-19)22-21(17-26)23(18-11-5-2-6-12-18)31(29-22)20-15-9-4-10-16-20/h2-16H,1H3
InChIKey LITKRANFQZVGSM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200900176
Molecular Weight 434.521 g/mol
SMILES c1(nnc([n]1-c1ccccc1)-c1c(c([n](n1)-c1ccccc1)-c1ccccc1)C#N)SC
SPLASH splash10-004i-9000300000-dde50e6c78aa3024e0b7
Source of Spectrum APC-343-392-7
Synonyms 3-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]-1,5-diphenyl-4-pyrazolecarbonitrile 3-(5-Methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,5-diphenylpyrazole-4-carbonitrile 3-(5-Methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,5-diphenyl-pyrazole-4-carbonitrile
Wiley ID 1769078