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3-(4-Cyano-1,5-diphenyl-1H-pyrazole-3-yl)-6-phenyl-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
SpectraBase Compound ID H4tBC0WuMzZ
InChI InChI=1S/C26H17N7S/c27-16-21-23(25-28-29-26-33(25)30-22(17-34-26)18-10-4-1-5-11-18)31-32(20-14-8-3-9-15-20)24(21)19-12-6-2-7-13-19/h1-15H,17H2
InChIKey ORETUGCHKDHYSK-UHFFFAOYSA-N
Mol Weight 459.53 g/mol
Molecular Formula C26H17N7S
Exact Mass 459.126615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExUOXPfmg3Q
Name 3-(4-Cyano-1,5-diphenyl-1H-pyrazole-3-yl)-6-phenyl-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
Alternate Name(s) 1,5-Diphenyl-3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-1H-pyrazole-4-carbonitrile 1,5-Diphenyl-3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-4-pyrazolecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H17N7S
InChI InChI=1S/C26H17N7S/c27-16-21-23(25-28-29-26-33(25)30-22(17-34-26)18-10-4-1-5-11-18)31-32(20-14-8-3-9-15-20)24(21)19-12-6-2-7-13-19/h1-15H,17H2
InChIKey ORETUGCHKDHYSK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200900176
Molecular Weight 459.531 g/mol
SMILES c1([n]2c(nn1)SCC(=N2)c1ccccc1)-c1n[n](-c2ccccc2)c(-c2ccccc2)c1C#N
SPLASH splash10-004i-9000300000-d781450bf57828f2541f
Source of Spectrum APC-343-394-17a
Wiley ID 1769069