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5-Amino-4-(p-chlorbenzoyl)-3-methylmercapto-1-phenyl-pyrazol
SpectraBase Compound ID J9f6vp9ocZZ
InChI InChI=1S/C17H14ClN3OS/c1-23-17-14(15(22)11-7-9-12(18)10-8-11)16(19)21(20-17)13-5-3-2-4-6-13/h2-10H,19H2,1H3
InChIKey KEFPFSGMXNJWPF-UHFFFAOYSA-N
Mol Weight 343.83 g/mol
Molecular Formula C17H14ClN3OS
Exact Mass 343.054611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWyteSO3ODl
Name 5-Amino-4-(p-chlorbenzoyl)-3-methylmercapto-1-phenyl-pyrazol
Alternate Name(s) (5-amino-3-(methylthio)-1-phenyl-1H-pyrazol-4-yl)(4-chlorophenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14ClN3OS
InChI InChI=1S/C17H14ClN3OS/c1-23-17-14(15(22)11-7-9-12(18)10-8-11)16(19)21(20-17)13-5-3-2-4-6-13/h2-10H,19H2,1H3
InChIKey KEFPFSGMXNJWPF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19783200412
Molecular Weight 343.832 g/mol
SMILES Nc1c(c(n[n]1-c1ccccc1)SC)C(c1ccc(cc1)Cl)=O
SPLASH splash10-002f-3639000000-b5d9065794b5a36ff2c9
Source of Spectrum JF-320-594-9a
Wiley ID 1791275