For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(4-Chlorophenyl)-5-oxo-7,9-diphenyl-1,5-dihydro[1,2,4]triazolo[5,1-c]pyrido[2,1-f][1,2,4]triazin-10-ium-2-thiolate
SpectraBase Compound ID 2SwfZAoD3uq
InChI InChI=1S/C26H16ClN5OS/c27-20-11-13-21(14-12-20)30-25-28-31-22(18-9-5-2-6-10-18)15-19(17-7-3-1-4-8-17)16-23(31)24(33)32(25)29-26(30)34/h1-16H
InChIKey FXVZQHNURWFZPF-UHFFFAOYSA-N
Mol Weight 481.96 g/mol
Molecular Formula C26H16ClN5OS
Exact Mass 481.076409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 63uPoHIIRhg
Name 1-(4-Chlorophenyl)-5-oxo-7,9-diphenyl-1,5-dihydro[1,2,4]triazolo[5,1-c]pyrido[2,1-f][1,2,4]triazin-10-ium-2-thiolate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H16ClN5OS
InChI InChI=1S/C26H16ClN5OS/c27-20-11-13-21(14-12-20)30-25-28-31-22(18-9-5-2-6-10-18)15-19(17-7-3-1-4-8-17)16-23(31)24(33)32(25)29-26(30)34/h1-16H
InChIKey FXVZQHNURWFZPF-UHFFFAOYSA-N
Molecular Weight 481.961 g/mol
SMILES C=12N(N=C(N2c2ccc(cc2)Cl)[S-])C(c2[n+](N1)c(cc(c2)-c1ccccc1)-c1ccccc1)=O
SPLASH splash10-03e9-9060200000-6eaee39868b4ca7f2765
Source of Spectrum SO-0-699-5
Synonyms 3-(4-Chlorophenyl)-10-oxo-6,8-diphenyl-3H,10H-pyrido[2,1-f][1,2,4]triazolo[5,1-c][1,2,4]triazin-5-ium-2-thiolate 3-(4-Chlorophenyl)-10-oxo-6,8-diphenyl-3H,10H-pyrido[2,1-f][1,2,4]triazolo[5,1-c][1,2,4]triazin-5-ium-2-ylsulfide
Wiley ID 1538294