2-[(4-Cyclopropyl-5-hydroxy-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-morpholinophenyl)-1-ethanone

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

ID: Reference3705

Other Names: 2-[(4-Cyclopropyl-5-hydroxy-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-morpholinophenyl)-1-ethanone

Formula: C17H20N4O3S

Spectral Data

2-[(4-Cyclopropyl-5-hydroxy-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-morpholinophenyl)-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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/4/2016 11:29:45 AM
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Identificators

InChI InChI=1S/C17H20N4O3S/c22-15(11-25-17-19-18-16(23)21(17)14-5-6-14)12-1-3-13(4-2-12)20-7-9-24-10-8-20/h1-4,14H,5-11H2,(H,18,23)
InChI Key XBSDLRXFGZUMKB-UHFFFAOYSA-N
Canonical SMILES C1CC1N2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)N4CCOCC4
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Other Names 2-[(4-Cyclopropyl-5-hydroxy-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-morpholinophenyl)-1-ethanone

In Other Databases

PubChem 2814829
ChemSpider 2093214