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3-(Benzo[d][1,3]dioxol-5-yl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
SpectraBase Compound ID 4IElLrCMtyJ
InChI InChI=1S/C17H14ClN3O2S/c18-12-4-1-10(2-5-12)14-8-13(20-21(14)17(19)24)11-3-6-15-16(7-11)23-9-22-15/h1-7,14H,8-9H2,(H2,19,24)
InChIKey YBHRVMFHTRXBFE-UHFFFAOYSA-N
Mol Weight 359.83 g/mol
Molecular Formula C17H14ClN3O2S
Exact Mass 359.049526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wlHXui06Gj
Name 3-(Benzo[d][1,3]dioxol-5-yl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14ClN3O2S
InChI InChI=1S/C17H14ClN3O2S/c18-12-4-1-10(2-5-12)14-8-13(20-21(14)17(19)24)11-3-6-15-16(7-11)23-9-22-15/h1-7,14H,8-9H2,(H2,19,24)
InChIKey YBHRVMFHTRXBFE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201100170
Molecular Weight 359.831 g/mol
SMILES NC(N1C(CC(=N1)c1cc2OCOc2cc1)c1ccc(cc1)Cl)=S
SPLASH splash10-08i1-4039000000-ecb663fc529b93379e47
Source of Spectrum APC-345-283-6d
Wiley ID 1769339