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4-(3,4,5-Trimethoxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol

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

4-(3,4,5-Trimethoxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID EMoQI5MCGDP
InChI InChI=1S/C18H21N5O3S2/c1-10(2)12-9-28-17(20-12)16-21-22-18(27)23(16)19-8-11-6-13(24-3)15(26-5)14(7-11)25-4/h6-10H,1-5H3,(H,22,27)/b19-8+
InChIKey UWQNLRZNJWXGRO-UFWORHAWSA-N
Mol Weight 419.52 g/mol
Molecular Formula C18H21N5O3S2
Exact Mass 419.108582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Nij2MxWj3r
Name 4-(3,4,5-Trimethoxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.108581901 u
Formula C18H21N5O3S2
InChI InChI=1S/C18H21N5O3S2/c1-10(2)12-9-28-17(20-12)16-21-22-18(27)23(16)19-8-11-6-13(24-3)15(26-5)14(7-11)25-4/h6-10H,1-5H3,(H,22,27)/b19-8+
InChIKey UWQNLRZNJWXGRO-UFWORHAWSA-N
Molecular Weight 419.518 g/mol
SMILES C=1(N(C(=NN1)S)\N=C\C=1C=C(OC)C(=C(C1)OC)OC)C1=NC(C(C)C)=CS1