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

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4-(4-Methylbenzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 6mT4v8RZnU9
InChI InChI=1S/C16H17N5S2/c1-10(2)13-9-23-15(18-13)14-19-20-16(22)21(14)17-8-12-6-4-11(3)5-7-12/h4-10H,1-3H3,(H,20,22)/b17-8+
InChIKey JIXTYJRCLSNYMD-CAOOACKPSA-N
Mol Weight 343.47 g/mol
Molecular Formula C16H17N5S2
Exact Mass 343.092538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Ynkx7P7bfa
Name 4-(4-Methylbenzylideneamino)-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 343.092537915 u
Formula C16H17N5S2
InChI InChI=1S/C16H17N5S2/c1-10(2)13-9-23-15(18-13)14-19-20-16(22)21(14)17-8-12-6-4-11(3)5-7-12/h4-10H,1-3H3,(H,20,22)/b17-8+
InChIKey JIXTYJRCLSNYMD-CAOOACKPSA-N
Molecular Weight 343.467 g/mol
SMILES C=1(N(C(=NN1)S)\N=C\C=1C=CC(=CC1)C)C1=NC(C(C)C)=CS1