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2-Nitro-6-((E)-[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl)phenol
SpectraBase Compound ID 7bNpXlFkbcK
InChI InChI=1S/C15H11N5O3S/c21-13-11(7-4-8-12(13)20(22)23)9-16-19-14(17-18-15(19)24)10-5-2-1-3-6-10/h1-9,21H,(H,18,24)/b16-9+
InChIKey CVSMYRJMGRMKLO-CXUHLZMHSA-N
Mol Weight 341.35 g/mol
Molecular Formula C15H11N5O3S
Exact Mass 341.05826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Sx97uoxJpR
Name 2-Nitro-6-((E)-[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl)phenol
CAS Registry Number 327031-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11N5O3S
InChI InChI=1S/C15H11N5O3S/c21-13-11(7-4-8-12(13)20(22)23)9-16-19-14(17-18-15(19)24)10-5-2-1-3-6-10/h1-9,21H,(H,18,24)/b16-9+
InChIKey CVSMYRJMGRMKLO-CXUHLZMHSA-N
Molecular Weight 341.345 g/mol
SMILES Oc1c(\C=N\[n]2c(nnc2-c2ccccc2)S)cccc1N(=O)=O
SPLASH splash10-004i-3901000000-be8ca13b90ea2dde8da2
Source of Spectrum AD-0-2532-0
Synonyms Phenol, 2-nitro-6-(3-mercapto-5-phenyl-1,2,4-triazol-4-yl)iminomethyl-
Wiley ID 1425862