N3-[2-(4,5-Dihydro-1H-imidazol-2-ylthio)ethyl]-2-phenoxynicotinamide

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Systematic / IUPAC Name: N-[2-(4,5-Dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxynicotinamide

ID: Reference6614

Other Names: 3-Pyridinecarboxamide, N-{2-[(4,5-dihydro-1H-imidazol-2-yl)thio]ethyl}-2-phenoxy-

Formula: C17H18N4O2S

Spectral Data

N3-[2-(4,5-Dihydro-1H-imidazol-2-ylthio)ethyl]-2-phenoxynicotinamide 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 7/14/2017 6:45:22 AM
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Identificators

InChI InChI=1S/C17H18N4O2S/c22-15(18-11-12-24-17-20-9-10-21-17)14-7-4-8-19-16(14)23-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,18,22)(H,20,21)
InChI Key IRIWBMACVISDNT-UHFFFAOYSA-N
Canonical SMILES C1CN=C(N1)SCCNC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3
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Other Names 3-Pyridinecarboxamide, N-{2-[(4,5-dihydro-1H-imidazol-2-yl)thio]ethyl}-2-phenoxy-

In Other Databases

PubChem 2797912
ChemSpider 2076710