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Pyridine, 3-nitro-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)thio]-
SpectraBase Compound ID 2YwaETiKR4U
InChI InChI=1S/C13H9N5O2S/c19-18(20)11-7-4-8-14-12(11)21-13-16-15-9-17(13)10-5-2-1-3-6-10/h1-9H
InChIKey GNEAMJCVBFMMSX-UHFFFAOYSA-N
Mol Weight 299.31 g/mol
Molecular Formula C13H9N5O2S
Exact Mass 299.047696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRmv7lDiw3s
Name Pyridine, 3-nitro-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9N5O2S
InChI InChI=1S/C13H9N5O2S/c19-18(20)11-7-4-8-14-12(11)21-13-16-15-9-17(13)10-5-2-1-3-6-10/h1-9H
InChIKey GNEAMJCVBFMMSX-UHFFFAOYSA-N
Molecular Weight 299.308 g/mol
SMILES c1([N+]([O-])=O)cccnc1Sc1nnc[n]1-c1ccccc1
SPLASH splash10-0ug0-9650000000-a5995bff1c5e7c179f6e
Source of Spectrum JX-2015-2-1590
Synonyms 3-Nitro-2-((4-phenyl-4H-1,2,4-triazol-3-yl)thio)pyridine 3-Nitro-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine 3-Nitro-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine
Wiley ID 1723222