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N-(5-(Cyano(4-methyl-3-phenylthiazol-2(3H)-ylidene)methyl)-1,3,4-oxadiazol-2-yl)benzamide
SpectraBase Compound ID 1H3tSAgO3PA
InChI InChI=1S/C21H15N5O2S/c1-14-13-29-20(26(14)16-10-6-3-7-11-16)17(12-22)19-24-25-21(28-19)23-18(27)15-8-4-2-5-9-15/h2-11,13H,1H3,(H,23,25,27)/b20-17-
InChIKey SIXOSYDWZVVESA-JZJYNLBNSA-N
Mol Weight 401.44 g/mol
Molecular Formula C21H15N5O2S
Exact Mass 401.094646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Fa3Ujkh5Qm
Name N-(5-(Cyano(4-methyl-3-phenylthiazol-2(3H)-ylidene)methyl)-1,3,4-oxadiazol-2-yl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.094645915 u
Formula C21H15N5O2S
InChI InChI=1S/C21H15N5O2S/c1-14-13-29-20(26(14)16-10-6-3-7-11-16)17(12-22)19-24-25-21(28-19)23-18(27)15-8-4-2-5-9-15/h2-11,13H,1H3,(H,23,25,27)/b20-17-
InChIKey SIXOSYDWZVVESA-JZJYNLBNSA-N
Molecular Weight 401.444 g/mol
SMILES C=1(\C(=C\2N(C(C)=CS2)C=2C=CC=CC2)C#N)OC(NC(=O)C2=CC=CC=C2)=NN1