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(4-chloro-benzylsulfanyl)-acetic acid (5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-ylmethylene)-hydrazide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(4-chloro-benzylsulfanyl)-acetic acid (5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-ylmethylene)-hydrazide
SpectraBase Compound ID 1Ohxditg49
InChI InChI=1S/C20H19ClN4O2S/c1-14-18(20(27)25(24-14)17-5-3-2-4-6-17)11-22-23-19(26)13-28-12-15-7-9-16(21)10-8-15/h2-11,27H,12-13H2,1H3,(H,23,26)/b22-11+
InChIKey PPFGQEJPTGAANS-SSDVNMTOSA-N
Mol Weight 414.91 g/mol
Molecular Formula C20H19ClN4O2S
Exact Mass 414.091725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rlydoYrxIG
Name (4-Chloro-benzylsulfanyl)-acetic acid (5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-ylmethylene)-hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.091724740 u
Formula C20H19ClN4O2S
InChI InChI=1S/C20H19ClN4O2S/c1-14-18(20(27)25(24-14)17-5-3-2-4-6-17)11-22-23-19(26)13-28-12-15-7-9-16(21)10-8-15/h2-11,27H,12-13H2,1H3,(H,23,26)/b22-11+
InChIKey PPFGQEJPTGAANS-SSDVNMTOSA-N
Molecular Weight 414.911 g/mol
SMILES C1=CC=C(N2C(=C(\C=N\NC(=O)CSCC=3C=CC(=CC3)Cl)C(=N2)C)O)C=C1