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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-phenylmethylidene]-5-(2-thienyl)-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 8omXHsAeE4b
InChI InChI=1S/C16H12N8O2S/c17-14-15(22-26-21-14)24-13(11-7-4-8-27-11)12(19-23-24)16(25)20-18-9-10-5-2-1-3-6-10/h1-9H,(H2,17,21)(H,20,25)/b18-9+
InChIKey DOANPVREWCPYSP-GIJQJNRQSA-N
Mol Weight 380.39 g/mol
Molecular Formula C16H12N8O2S
Exact Mass 380.080393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5AFw79teaY1
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-phenylmethylidene]-5-(2-thienyl)-1H-1,2,3-triazole-4-carbohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.080392830 u
Formula C16H12N8O2S
InChI InChI=1S/C16H12N8O2S/c17-14-15(22-26-21-14)24-13(11-7-4-8-27-11)12(19-23-24)16(25)20-18-9-10-5-2-1-3-6-10/h1-9H,(H2,17,21)(H,20,25)/b18-9+
InChIKey DOANPVREWCPYSP-GIJQJNRQSA-N
Molecular Weight 380.386 g/mol
SMILES N(\N=C\C=1C=CC=CC1)C(C1=C(N(C=2C(=NON2)N)N=N1)C=1SC=CC1)=O