1-Phenyl-2-{[4-(2-thienyl)-2-pyrimidinyl]sulfanyl}-1-ethanone

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Systematic / IUPAC Name: 1-Phenyl-2-{[4-(2-thienyl)-2-pyrimidinyl]sulfanyl}ethanone

ID: Reference4468

Other Names: Ethanone, 1-phenyl-2-{[4-(2-thienyl)-2-pyrimidinyl]thio}-

Formula: C16H12N2OS2

Spectral Data

1-Phenyl-2-{[4-(2-thienyl)-2-pyrimidinyl]sulfanyl}-1-ethanone 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 4/8/2016 9:51:48 AM
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Identificators

InChI InChI=1S/C16H12N2OS2/c19-14(12-5-2-1-3-6-12)11-21-16-17-9-8-13(18-16)15-7-4-10-20-15/h1-10H,11H2
InChI Key RQHBSNMLAGLHHN-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3
CAS
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Other Names Ethanone, 1-phenyl-2-{[4-(2-thienyl)-2-pyrimidinyl]thio}-

In Other Databases

PubChem 2811764
ChemSpider 2090174