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4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-6-chloroquinolin-2(1H)-one
SpectraBase Compound ID A6omYXKrFjP
InChI InChI=1S/C20H15ClN6OS/c21-13-5-6-16-15(8-13)12(7-19(28)22-16)9-27-10-14(25-26-27)11-29-20-23-17-3-1-2-4-18(17)24-20/h1-8,10H,9,11H2,(H,22,28)(H,23,24)
InChIKey ZPCCUCSUZUTOKE-UHFFFAOYSA-N
Mol Weight 422.89 g/mol
Molecular Formula C20H15ClN6OS
Exact Mass 422.071658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xw9wsTJupg
Name 4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-6-chloroquinolin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClN6OS
InChI InChI=1S/C20H15ClN6OS/c21-13-5-6-16-15(8-13)12(7-19(28)22-16)9-27-10-14(25-26-27)11-29-20-23-17-3-1-2-4-18(17)24-20/h1-8,10H,9,11H2,(H,22,28)(H,23,24)
InChIKey ZPCCUCSUZUTOKE-UHFFFAOYSA-N
Molecular Weight 422.894 g/mol
SMILES N1C(C=C(C[n]2nnc(CSc3nc4c(cccc4)[nH]3)c2)c2c1ccc(c2)Cl)=O
SPLASH splash10-0udi-9820000000-3bf300fc0f9065837520
Source of Spectrum Ashish Anand, et al. Bioorganic & Medicinal Chemistry Letters, V.26, 2016, P.4709-4713
Wiley ID 1816584