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1-Cyclohexyl-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 GCaOdCoLe82
InChI InChI=1S/C26H23N5OS/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/h1-2,4-7,10-13,16-17,21H,3,8-9,14-15H2
InChIKey KQKWYDCPTJMKJU-UHFFFAOYSA-N
Mol Weight 453.56 g/mol
Molecular Formula C26H23N5OS
Exact Mass 453.162332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID onWvp3srDO
Name 1-Cyclohexyl-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) 3-cyclohexyl-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-cyclohexyl-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
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Formula C26H23N5OS
InChI InChI=1S/C26H23N5OS/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/h1-2,4-7,10-13,16-17,21H,3,8-9,14-15H2
InChIKey KQKWYDCPTJMKJU-UHFFFAOYSA-N
Molecular Weight 453.564 g/mol
SMILES C=12N(N=C(N2C2CCCCC2)[S-])C(c2[n+](N1)c(cc(c2)-c1ccccc1)-c1ccccc1)=O
SPLASH splash10-03e9-9080000000-2eb0765d2783f365dcd8
Source of Spectrum SO-0-699-5
Wiley ID 1538292