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N-(4-chlorobenzoyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea

View entire compound with spectra: 2 NMR

N-(4-chlorobenzoyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
SpectraBase Compound ID FD5r1fsBWRd
InChI InChI=1S/C19H17ClN4O2S/c1-12-16(18(26)24(23(12)2)15-6-4-3-5-7-15)21-19(27)22-17(25)13-8-10-14(20)11-9-13/h3-11H,1-2H3,(H2,21,22,25,27)
InChIKey CTXIVQGCXFTTEO-UHFFFAOYSA-N
Mol Weight 400.88 g/mol
Molecular Formula C19H17ClN4O2S
Exact Mass 400.076075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVMWDh8dd79
Name N-(4-Chlorobenzoyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.076074675 u
Formula C19H17ClN4O2S
InChI InChI=1S/C19H17ClN4O2S/c1-12-16(18(26)24(23(12)2)15-6-4-3-5-7-15)21-19(27)22-17(25)13-8-10-14(20)11-9-13/h3-11H,1-2H3,(H2,21,22,25,27)
InChIKey CTXIVQGCXFTTEO-UHFFFAOYSA-N
Molecular Weight 400.884 g/mol
SMILES N(C(NC(C1=CC=C(C=C1)Cl)=O)=S)C=1C(N(C=2C=CC=CC2)N(C1C)C)=O