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2(1H)-Pyrimidinone, 5-chloro-4-(4-chlorophenyl)-1-[[(4-chlorophenyl)thio]methyl]-3,4-dihydro-
SpectraBase Compound ID HtJPg8Ibn1T
InChI InChI=1S/C17H13Cl3N2OS/c18-12-3-1-11(2-4-12)16-15(20)9-22(17(23)21-16)10-24-14-7-5-13(19)6-8-14/h1-9,16H,10H2,(H,21,23)
InChIKey LBDJPBSDRHPJOO-UHFFFAOYSA-N
Mol Weight 399.72 g/mol
Molecular Formula C17H13Cl3N2OS
Exact Mass 397.981417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7WV49q8CkE
Name 2(1H)-Pyrimidinone, 5-chloro-4-(4-chlorophenyl)-1-[[(4-chlorophenyl)thio]methyl]-3,4-dihydro-
CAS Registry Number 103594-79-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13Cl3N2OS
InChI InChI=1S/C17H13Cl3N2OS/c18-12-3-1-11(2-4-12)16-15(20)9-22(17(23)21-16)10-24-14-7-5-13(19)6-8-14/h1-9,16H,10H2,(H,21,23)
InChIKey LBDJPBSDRHPJOO-UHFFFAOYSA-N
Molecular Weight 399.723 g/mol
SMILES N1C(C(=CN(C1=O)CSc1ccc(cc1)Cl)Cl)c1ccc(cc1)Cl
SPLASH splash10-0a4i-0090000000-21d418f3257de454104b
Source of Spectrum KC-1985-1998-2
Synonyms 5-Chloro-4-(4-chlorophenyl)-1-(4-chlorophenylthiomethyl)-3,4-dihydropyrimidin-2(1H)-one 5-Chloro-4-(4-chlorophenyl)-1-{[(4-chlorophenyl)sulfanyl]methyl}-3,4-dihydro-2(1H)-pyrimidinone
Wiley ID 1368178