N-(2-Cyanoethyl)-N-(2-thienylmethyl)-N'-[3-(trifluoromethyl)phenyl]urea

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Systematic / IUPAC Name: 1-(2-Cyanoethyl)-1-(2-thienylmethyl)-3-[3-(trifluoromethyl)phenyl]urea

ID: Reference6998

Other Names: 3-(2-Cyanoethyl)-3-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]urea;
Urea, N-(2-cyanoethyl)-N-(2-thienylmethyl)-N'-[3-(trifluoromethyl)phenyl]-

Formula: C16H14F3N3OS

Spectral Data

N-(2-Cyanoethyl)-N-(2-thienylmethyl)-N'-[3-(trifluoromethyl)phenyl]urea 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 11/20/2017 1:13:54 PM
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Identificators

InChI InChI=1S/C16H14F3N3OS/c17-16(18,19)12-4-1-5-13(10-12)21-15(23)22(8-3-7-20)11-14-6-2-9-24-14/h1-2,4-6,9-10H,3,8,11H2,(H,21,23)
InChI Key QEZBHFKZPZLYDN-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC(=C1)NC(=O)N(CCC#N)CC2=CC=CS2)C(F)(F)F
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Other Names 3-(2-Cyanoethyl)-3-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]urea;
Urea, N-(2-cyanoethyl)-N-(2-thienylmethyl)-N'-[3-(trifluoromethyl)phenyl]-

In Other Databases

PubChem 2812838
ChemSpider 2091242