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5-Methyl-4-(4-phenylthiazol-2-yl)-2-(p-tolyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

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5-Methyl-4-(4-phenylthiazol-2-yl)-2-(p-tolyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
SpectraBase Compound ID 9wHWBENX8Pa
InChI InChI=1S/C19H16N4OS/c1-13-8-10-16(11-9-13)23-19(24)22(14(2)21-23)18-20-17(12-25-18)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKey XABYQCLZJYDIBC-UHFFFAOYSA-N
Mol Weight 348.42 g/mol
Molecular Formula C19H16N4OS
Exact Mass 348.104482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 32NAsRMrHol
Name 5-Methyl-4-(4-phenylthiazol-2-yl)-2-(p-tolyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.104482324 u
Formula C19H16N4OS
InChI InChI=1S/C19H16N4OS/c1-13-8-10-16(11-9-13)23-19(24)22(14(2)21-23)18-20-17(12-25-18)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKey XABYQCLZJYDIBC-UHFFFAOYSA-N
Molecular Weight 348.424 g/mol
SMILES C1(N(C(=NN1C=1C=CC(=CC1)C)C)C1=NC(C2=CC=CC=C2)=CS1)=O