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2(1H)-Pyrimidinone, 5-chloro-4-(4-chlorophenyl)-1-[[(4-chlorophenyl)thio]methyl]-
SpectraBase Compound ID 50aDgkK45TO
InChI InChI=1S/C17H11Cl3N2OS/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/h1-9H,10H2
InChIKey PTZLUULFUQODHT-UHFFFAOYSA-N
Mol Weight 397.71 g/mol
Molecular Formula C17H11Cl3N2OS
Exact Mass 395.965767 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JU0sAMtGZkU
Name 2(1H)-Pyrimidinone, 5-chloro-4-(4-chlorophenyl)-1-[[(4-chlorophenyl)thio]methyl]-
CAS Registry Number 103594-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11Cl3N2OS
InChI InChI=1S/C17H11Cl3N2OS/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/h1-9H,10H2
InChIKey PTZLUULFUQODHT-UHFFFAOYSA-N
Molecular Weight 397.707 g/mol
SMILES C1(N(C=C(C(=N1)c1ccc(cc1)Cl)Cl)CSc1ccc(cc1)Cl)=O
SPLASH splash10-0kmi-0090000000-d356404aea42ff16a655
Source of Spectrum KC-1985-1999-3
Synonyms 5-Chloro-4-(4-chlorophenyl)-1-(4-chlorophenylthiomethyl)-pyrimidin-2(1H)-one 5-Chloro-4-(4-chlorophenyl)-1-{[(4-chlorophenyl)sulfanyl]methyl}-2(1H)-pyrimidinone
Wiley ID 1367254