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N-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-N'-(3-pyridinylmethyl)thiourea

View entire compound with spectra: 2 NMR

N-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-N'-(3-pyridinylmethyl)thiourea
SpectraBase Compound ID 37eddTlLYwx
InChI InChI=1S/C17H16ClN5S/c18-15-5-3-13(4-6-15)12-23-9-7-16(22-23)21-17(24)20-11-14-2-1-8-19-10-14/h1-10H,11-12H2,(H2,20,21,22,24)
InChIKey QKWIXSVRDPVBPO-UHFFFAOYSA-N
Mol Weight 357.86 g/mol
Molecular Formula C17H16ClN5S
Exact Mass 357.081494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hq5e30IUEy5
Name N-[1-(4-Chlorobenzyl)-1H-pyrazol-3-yl]-N'-(3-pyridinylmethyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 357.081494409 u
Formula C17H16ClN5S
InChI InChI=1S/C17H16ClN5S/c18-15-5-3-13(4-6-15)12-23-9-7-16(22-23)21-17(24)20-11-14-2-1-8-19-10-14/h1-10H,11-12H2,(H2,20,21,22,24)
InChIKey QKWIXSVRDPVBPO-UHFFFAOYSA-N
Molecular Weight 357.863 g/mol
SMILES N(C1=NN(CC2=CC=C(C=C2)Cl)C=C1)C(=S)NCC=1C=NC=CC1