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acetic acid, [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(Z)-1-phenylethylidene]hydrazide
SpectraBase Compound ID HPAGCukSqAp
InChI InChI=1S/C20H21N5OS/c1-3-25-19(17-12-8-5-9-13-17)23-24-20(25)27-14-18(26)22-21-15(2)16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3,(H,22,26)/b21-15-
InChIKey VBIPBVBWEDYOGS-QNGOZBTKSA-N
Mol Weight 379.48 g/mol
Molecular Formula C20H21N5OS
Exact Mass 379.146681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbVilvV23mU
Name Acetic acid, [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(Z)-1-phenylethylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.146681489 u
Formula C20H21N5OS
InChI InChI=1S/C20H21N5OS/c1-3-25-19(17-12-8-5-9-13-17)23-24-20(25)27-14-18(26)22-21-15(2)16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3,(H,22,26)/b21-15-
InChIKey VBIPBVBWEDYOGS-QNGOZBTKSA-N
Molecular Weight 379.482 g/mol
SMILES N(\N=C/(C=1C=CC=CC1)C)C(CSC=1N(C(=NN1)C=1C=CC=CC1)CC)=O