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N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

View entire compound with spectra: 2 NMR

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SpectraBase Compound ID BDFhHiguUB1
InChI InChI=1S/C20H14ClN3OS2/c1-12-17(27-19(22-12)14-5-3-2-4-6-14)18(25)24-20-23-16(11-26-20)13-7-9-15(21)10-8-13/h2-11H,1H3,(H,23,24,25)
InChIKey UOBZOJISXULDIF-UHFFFAOYSA-N
Mol Weight 411.93 g/mol
Molecular Formula C20H14ClN3OS2
Exact Mass 411.026682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 96SoYdX3Kjr
Name N-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.026682130 u
Formula C20H14ClN3OS2
InChI InChI=1S/C20H14ClN3OS2/c1-12-17(27-19(22-12)14-5-3-2-4-6-14)18(25)24-20-23-16(11-26-20)13-7-9-15(21)10-8-13/h2-11H,1H3,(H,23,24,25)
InChIKey UOBZOJISXULDIF-UHFFFAOYSA-N
Molecular Weight 411.925 g/mol
SMILES N(C1=NC(C2=CC=C(C=C2)Cl)=CS1)C(C=1SC(C2=CC=CC=C2)=NC1C)=O