4-(4-Chlorophenyl)-2-{[2-(phenylsulfonyl)ethyl]thio}pyrimidine

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Systematic / IUPAC Name: 4-(4-Chlorophenyl)-2-{[2-(phenylsulfonyl)ethyl]sulfanyl}pyrimidine

ID: Reference5610

Other Names: Pyrimidine, 4-(4-chlorophenyl)-2-{[2-(phenylsulfonyl)ethyl]thio}-

Formula: C18H15ClN2O2S2

Spectral Data

4-(4-Chlorophenyl)-2-{[2-(phenylsulfonyl)ethyl]thio}pyrimidine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/13/2016 2:29:13 PM
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Identificators

InChI InChI=1S/C18H15ClN2O2S2/c19-15-8-6-14(7-9-15)17-10-11-20-18(21-17)24-12-13-25(22,23)16-4-2-1-3-5-16/h1-11H,12-13H2
InChI Key RCAHMKFNAHOZAQ-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)S(=O)(=O)CCSC2=NC=CC(=N2)C3=CC=C(C=C3)Cl
CAS
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Other Names Pyrimidine, 4-(4-chlorophenyl)-2-{[2-(phenylsulfonyl)ethyl]thio}-

In Other Databases

PubChem 2821171
ChemSpider 2099399