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

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4-(3,4-Dimethoxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 689WPoBJnlh
InChI InChI=1S/C17H19N5O2S2/c1-10(2)12-9-26-16(19-12)15-20-21-17(25)22(15)18-8-11-5-6-13(23-3)14(7-11)24-4/h5-10H,1-4H3,(H,21,25)/b18-8+
InChIKey CXEHQIKGPHKOHO-QGMBQPNBSA-N
Mol Weight 389.49 g/mol
Molecular Formula C17H19N5O2S2
Exact Mass 389.098017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZTwXM0CvLJ
Name 4-(3,4-Dimethoxybenzylideneamino)-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 389.098017218 u
Formula C17H19N5O2S2
InChI InChI=1S/C17H19N5O2S2/c1-10(2)12-9-26-16(19-12)15-20-21-17(25)22(15)18-8-11-5-6-13(23-3)14(7-11)24-4/h5-10H,1-4H3,(H,21,25)/b18-8+
InChIKey CXEHQIKGPHKOHO-QGMBQPNBSA-N
Molecular Weight 389.492 g/mol
SMILES C=1(N(C(=NN1)S)\N=C\C=1C=C(OC)C(=CC1)OC)C1=NC(C(C)C)=CS1