2-{[2-(1-Benzofuran-2-yl)-2-oxoethyl]thio}quinazolin-4(3H)-one

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Systematic / IUPAC Name: 2-{[2-(1-Benzofuran-2-yl)-2-oxoethyl]sulfanyl}-4(1H)-quinazolinone

ID: Reference3726

Other Names: 4(1H)-Quinazolinone, 2-{[2-(2-benzofuranyl)-2-oxoethyl]thio}-

Formula: C18H12N2O3S

Spectral Data

2-{[2-(1-Benzofuran-2-yl)-2-oxoethyl]thio}quinazolin-4(3H)-one 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 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/5/2016 12:26:16 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H12N2O3S/c21-14(16-9-11-5-1-4-8-15(11)23-16)10-24-18-19-13-7-3-2-6-12(13)17(22)20-18/h1-9H,10H2,(H,19,20,22)
InChI Key WREXXVBJCLSNOB-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3
CAS
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Other Names 4(1H)-Quinazolinone, 2-{[2-(2-benzofuranyl)-2-oxoethyl]thio}-

In Other Databases

ChemSpider 2104491
PubChem 2826379