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1-Benzyl-3-[5-(pyridin-4-yl)-3-sulfanyl-4H-1,2,4-triazole-4-ylimino]-2,3-dihydro-1H-indol-2-one
SpectraBase Compound ID FcHeBuwhCf1
InChI InChI=1S/C22H16N6OS/c29-21-19(26-28-20(24-25-22(28)30)16-10-12-23-13-11-16)17-8-4-5-9-18(17)27(21)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,30)/b26-19+
InChIKey LQYBFHIPBLCJEK-LGUFXXKBSA-N
Mol Weight 412.47 g/mol
Molecular Formula C22H16N6OS
Exact Mass 412.11063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7HyC1Au3Gp
Name 1-Benzyl-3-[5-(pyridin-4-yl)-3-sulfanyl-4H-1,2,4-triazole-4-ylimino]-2,3-dihydro-1H-indol-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N6OS
InChI InChI=1S/C22H16N6OS/c29-21-19(26-28-20(24-25-22(28)30)16-10-12-23-13-11-16)17-8-4-5-9-18(17)27(21)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,30)/b26-19+
InChIKey LQYBFHIPBLCJEK-LGUFXXKBSA-N
Molecular Weight 412.471 g/mol
SMILES Sc1[n](c(nn1)-c1ccncc1)\N=C\1C(N(Cc2ccccc2)c2c1cccc2)=O
SPLASH splash10-001o-2905000000-edb8bb433c411c01c713
Source of Spectrum O1-45-142-2b
Synonyms 1-Benzyl-3-[5-(pyridin-4-yl)-3-sulfanyl-4H-1,2,4triazole-4-ylimino]-2,3-dihydro-1H-indol-2-one
Wiley ID 1668992