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4-methoxy-N-(5-{2-oxo-2-[(2E)-2-(2-thienylmethylene)hydrazino]ethyl}-1,3,4-thiadiazol-2-yl)benzamide
SpectraBase Compound ID 9awuV1VYbRo
InChI InChI=1S/C17H15N5O3S2/c1-25-12-6-4-11(5-7-12)16(24)19-17-22-21-15(27-17)9-14(23)20-18-10-13-3-2-8-26-13/h2-8,10H,9H2,1H3,(H,20,23)(H,19,22,24)/b18-10+
InChIKey XXAKMLGMFPUIFU-VCHYOVAHSA-N
Mol Weight 401.46 g/mol
Molecular Formula C17H15N5O3S2
Exact Mass 401.061632 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LSP5MguOkYq
Name 4-Methoxy-N-(5-{2-oxo-2-[(2E)-2-(2-thienylmethylene)hydrazino]ethyl}-1,3,4-thiadiazol-2-yl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.061631708 u
Formula C17H15N5O3S2
InChI InChI=1S/C17H15N5O3S2/c1-25-12-6-4-11(5-7-12)16(24)19-17-22-21-15(27-17)9-14(23)20-18-10-13-3-2-8-26-13/h2-8,10H,9H2,1H3,(H,20,23)(H,19,22,24)/b18-10+
InChIKey XXAKMLGMFPUIFU-VCHYOVAHSA-N
Molecular Weight 401.459 g/mol
SMILES N(\N=C\C=1SC=CC1)C(CC=1SC(=NN1)NC(C1=CC=C(C=C1)OC)=O)=O