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N-[5-(2-{(2E)-2-[3-(1-naphthylmethoxy)benzylidene]hydrazino}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzamide

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N-[5-(2-{(2E)-2-[3-(1-naphthylmethoxy)benzylidene]hydrazino}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzamide
SpectraBase Compound ID 7xEeK1UQSnG
InChI InChI=1S/C29H23N5O3S/c35-26(17-27-33-34-29(38-27)31-28(36)22-10-2-1-3-11-22)32-30-18-20-8-6-14-24(16-20)37-19-23-13-7-12-21-9-4-5-15-25(21)23/h1-16,18H,17,19H2,(H,32,35)(H,31,34,36)/b30-18+
InChIKey LVNSUMDDNWMMSI-UXHLAJHPSA-N
Mol Weight 521.6 g/mol
Molecular Formula C29H23N5O3S
Exact Mass 521.152161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OpyLw1rpL
Name N-[5-(2-{(2E)-2-[3-(1-Naphthylmethoxy)benzylidene]hydrazino}-2-oxoethyl)-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 521.152160792 u
Formula C29H23N5O3S
InChI InChI=1S/C29H23N5O3S/c35-26(17-27-33-34-29(38-27)31-28(36)22-10-2-1-3-11-22)32-30-18-20-8-6-14-24(16-20)37-19-23-13-7-12-21-9-4-5-15-25(21)23/h1-16,18H,17,19H2,(H,32,35)(H,31,34,36)/b30-18+
InChIKey LVNSUMDDNWMMSI-UXHLAJHPSA-N
Molecular Weight 521.595 g/mol
SMILES N(\N=C\C1=CC(OCC=2C=3C(=CC=CC3)C=CC2)=CC=C1)C(CC=1SC(=NN1)NC(=O)C1=CC=CC=C1)=O