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4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-8-methylquinolin-2(1H)-one
SpectraBase Compound ID EkAAeXr5pMm
InChI InChI=1S/C21H18N6OS/c1-13-5-4-6-16-14(9-19(28)24-20(13)16)10-27-11-15(25-26-27)12-29-21-22-17-7-2-3-8-18(17)23-21/h2-9,11H,10,12H2,1H3,(H,22,23)(H,24,28)
InChIKey MAKDBXORRXYYHL-UHFFFAOYSA-N
Mol Weight 402.48 g/mol
Molecular Formula C21H18N6OS
Exact Mass 402.12628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoXkCZBQJTP
Name 4-((4-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)methyl)-8-methylquinolin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N6OS
InChI InChI=1S/C21H18N6OS/c1-13-5-4-6-16-14(9-19(28)24-20(13)16)10-27-11-15(25-26-27)12-29-21-22-17-7-2-3-8-18(17)23-21/h2-9,11H,10,12H2,1H3,(H,22,23)(H,24,28)
InChIKey MAKDBXORRXYYHL-UHFFFAOYSA-N
Molecular Weight 402.476 g/mol
SMILES N1C(C=C(C[n]2nnc(CSc3nc4c(cccc4)[nH]3)c2)c2c1c(ccc2)C)=O
SPLASH splash10-0f6x-9700000000-ece5f7574852104dc0c9
Source of Spectrum Ashish Anand, et al. Bioorganic & Medicinal Chemistry Letters, V.26, 2016, P.4709-4713
Wiley ID 1816585