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(Z)-6-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-2-thioxo-2,3-dihydro-[1,2,4]triazolo[5,1-a]isoquinolin-5(6H)-one
SpectraBase Compound ID 5gNnpiW90h8
InChI InChI=1S/C26H17N5OS/c32-25-22(20-13-7-8-14-21(20)24-27-26(33)29-31(24)25)15-18-16-30(19-11-5-2-6-12-19)28-23(18)17-9-3-1-4-10-17/h1-16H,(H,29,33)/b22-15-
InChIKey XBTMRTKROZDNDN-JCMHNJIXSA-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 7UDzEnBYh3k
Name (Z)-6-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-2-thioxo-2,3-dihydro-[1,2,4]triazolo[5,1-a]isoquinolin-5(6H)-one
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Formula C26H17N5OS
InChI InChI=1S/C26H17N5OS/c32-25-22(20-13-7-8-14-21(20)24-27-26(33)29-31(24)25)15-18-16-30(19-11-5-2-6-12-19)28-23(18)17-9-3-1-4-10-17/h1-16H,(H,29,33)/b22-15-
InChIKey XBTMRTKROZDNDN-JCMHNJIXSA-N
Molecular Weight 447.516 g/mol
SMILES N1C(N=C2N1C(\C(c1ccccc21)=C\c1c(n[n](c1)-c1ccccc1)-c1ccccc1)=O)=S
SPLASH splash10-004i-9105000000-f1e1a2377fa21fb55f01
Source of Spectrum SK-45-1632/SM5-7
Synonyms (Z)-6-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-2-thioxo-2,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinolin-5(3H)-one
Wiley ID 1805706