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1-Phenyl-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 G7TbwQ3H0fX
InChI InChI=1S/C26H17N5OS/c32-24-23-17-20(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)30(23)27-25-29(26(33)28-31(24)25)21-14-8-3-9-15-21/h1-17H
InChIKey VYVNLDYYVYZWDD-UHFFFAOYSA-N
Mol Weight 447.52 g/mol
Molecular Formula C26H17N5OS
Exact Mass 447.115381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47EIj8yE1A
Name 1-Phenyl-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
Alternate Name(s) 10-oxo-3,6,8-triphenyl-3H,10H-pyrido[2,1-f][1,2,4]triazolo[5,1-c][1,2,4]triazin-5-ium-2-thiolate 10-oxo-3,6,8-triphenyl-3H,10H-pyrido[2,1-f][1,2,4]triazolo[5,1-c][1,2,4]triazin-5-ium-2-ylsulfide
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Formula C26H17N5OS
InChI InChI=1S/C26H17N5OS/c32-24-23-17-20(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)30(23)27-25-29(26(33)28-31(24)25)21-14-8-3-9-15-21/h1-17H
InChIKey VYVNLDYYVYZWDD-UHFFFAOYSA-N
Molecular Weight 447.516 g/mol
SMILES C=12N(N=C(N2c2ccccc2)[S-])C(c2[n+](N1)c(cc(c2)-c1ccccc1)-c1ccccc1)=O
SPLASH splash10-0il0-7090200000-358880537889260e5282
Source of Spectrum SO-0-699-5
Wiley ID 1538296