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3-(4-Cyano-1,5-diphenyl-1H-pyrazole-3-yl)-6-(4-methoxyphenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine

View entire compound with spectra: 1 MS (GC)

3-(4-Cyano-1,5-diphenyl-1H-pyrazole-3-yl)-6-(4-methoxyphenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
SpectraBase Compound ID 9ORpthQuB1d
InChI InChI=1S/C27H19N7OS/c1-35-21-14-12-18(13-15-21)23-17-36-27-30-29-26(34(27)31-23)24-22(16-28)25(19-8-4-2-5-9-19)33(32-24)20-10-6-3-7-11-20/h2-15H,17H2,1H3
InChIKey BPBHVBWKHWYDIC-UHFFFAOYSA-N
Mol Weight 489.56 g/mol
Molecular Formula C27H19N7OS
Exact Mass 489.137179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DymQBgwqKmS
Name 3-(4-Cyano-1,5-diphenyl-1H-pyrazole-3-yl)-6-(4-methoxyphenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
Alternate Name(s) 3-(6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-1,5-diphenyl-1H-pyrazole-4-carbonitrile 3-[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1,5-diphenyl-4-pyrazolecarbonitrile 3-[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1,5-diphenylpyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19N7OS
InChI InChI=1S/C27H19N7OS/c1-35-21-14-12-18(13-15-21)23-17-36-27-30-29-26(34(27)31-23)24-22(16-28)25(19-8-4-2-5-9-19)33(32-24)20-10-6-3-7-11-20/h2-15H,17H2,1H3
InChIKey BPBHVBWKHWYDIC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200900176
Molecular Weight 489.557 g/mol
SMILES c1([n]2c(nn1)SCC(=N2)c1ccc(cc1)OC)-c1n[n](-c2ccccc2)c(c1C#N)-c1ccccc1
SPLASH splash10-009i-9822300000-33dbbd13038b786ba39b
Source of Spectrum APC-343-394-17b
Wiley ID 1769070