2-{[5-Hydroxy-4-(1-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-morpholino-1-ethanone

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Systematic / IUPAC Name: 5-{[2-(4-Morpholinyl)-2-oxoethyl]sulfanyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

ID: Reference3975

Other Names: 2-{[5-Hydroxy-4-(1-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one;
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-{[2-(4-morpholinyl)-2-oxoethyl]thio}-4-(1-phenylethyl)-

Formula: C16H20N4O3S

Spectral Data

2-{[5-Hydroxy-4-(1-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-morpholino-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 2
No. of Spectra 237
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/26/2016 9:58:45 AM
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Identificators

InChI InChI=1S/C16H20N4O3S/c1-12(13-5-3-2-4-6-13)20-15(22)17-18-16(20)24-11-14(21)19-7-9-23-10-8-19/h2-6,12H,7-11H2,1H3,(H,17,22)
InChI Key RQOZUMHPGLSXHS-UHFFFAOYSA-N
Canonical SMILES CC(C1=CC=CC=C1)N2C(=O)NN=C2SCC(=O)N3CCOCC3
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Other Names 2-{[5-Hydroxy-4-(1-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one;
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-{[2-(4-morpholinyl)-2-oxoethyl]thio}-4-(1-phenylethyl)-

In Other Databases

ChemSpider 2092542
PubChem 2814153