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5-Nitro-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine
SpectraBase Compound ID 5uPUmEEGPdo
InChI InChI=1S/C20H15N5O3S/c26-25(27)16-11-12-19(21-13-16)29-20-23-22-18(14-28-17-9-5-2-6-10-17)24(20)15-7-3-1-4-8-15/h1-13H,14H2
InChIKey OZUBDKIROJPQGE-UHFFFAOYSA-N
Mol Weight 405.43 g/mol
Molecular Formula C20H15N5O3S
Exact Mass 405.089561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUVPRQxKrAE
Name 5-Nitro-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine
Alternate Name(s) 5-Nitro-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15N5O3S
InChI InChI=1S/C20H15N5O3S/c26-25(27)16-11-12-19(21-13-16)29-20-23-22-18(14-28-17-9-5-2-6-10-17)24(20)15-7-3-1-4-8-15/h1-13H,14H2
InChIKey OZUBDKIROJPQGE-UHFFFAOYSA-N
Molecular Weight 405.432 g/mol
SMILES c1([n](c(COc2ccccc2)nn1)-c1ccccc1)Sc1ncc(N(=O)=O)cc1
SPLASH splash10-03di-9735100000-075cf74870bb4b158ba5
Wiley ID 1461133