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8-Nitro-5-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]quinoline

View entire compound with spectra: 1 NMR, and 1 MS (GC)

8-Nitro-5-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]quinoline
SpectraBase Compound ID FafCRuZtG0H
InChI InChI=1S/C24H17N5O3S/c30-29(31)20-13-14-21(19-12-7-15-25-23(19)20)33-24-27-26-22(16-32-18-10-5-2-6-11-18)28(24)17-8-3-1-4-9-17/h1-15H,16H2
InChIKey CAYNCODJBVZVDW-UHFFFAOYSA-N
Mol Weight 455.49 g/mol
Molecular Formula C24H17N5O3S
Exact Mass 455.105211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DnOsZ83f7n
Name 8-Nitro-5-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]quinoline
Alternate Name(s) 8-Nitro-5-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]quinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H17N5O3S
InChI InChI=1S/C24H17N5O3S/c30-29(31)20-13-14-21(19-12-7-15-25-23(19)20)33-24-27-26-22(16-32-18-10-5-2-6-11-18)28(24)17-8-3-1-4-9-17/h1-15H,16H2
InChIKey CAYNCODJBVZVDW-UHFFFAOYSA-N
Molecular Weight 455.492 g/mol
SMILES c1([n](c(COc2ccccc2)nn1)-c1ccccc1)Sc1c2c(nccc2)c(cc1)N(=O)=O
SPLASH splash10-0170-9411000000-1a1784588c5105d9dea3
Wiley ID 1452334