1-Benzyl-1-(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]thiourea

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Systematic / IUPAC Name: 1-Benzyl-1-(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]thiourea

ID: Reference8448

Other Names: N-benzyl-N-(2-cyanoethyl)-N'-[3-(trifluoromethyl)phenyl]thiourea;
Thiourea, N-(2-cyanoethyl)-N-(phenylmethyl)-N'-[3-(trifluoromethyl)phenyl]-

Formula: C18H16F3N3S

Spectral Data

1-Benzyl-1-(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]thiourea 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 220
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/11/2018 11:55:56 AM
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Identificators

InChI InChI=1S/C18H16F3N3S/c19-18(20,21)15-8-4-9-16(12-15)23-17(25)24(11-5-10-22)13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,11,13H2,(H,23,25)
InChI Key QDCBYHZIBHYRTC-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)CN(CCC#N)C(=S)NC2=CC=CC(=C2)C(F)(F)F
CAS
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Other Names N-benzyl-N-(2-cyanoethyl)-N'-[3-(trifluoromethyl)phenyl]thiourea;
Thiourea, N-(2-cyanoethyl)-N-(phenylmethyl)-N'-[3-(trifluoromethyl)phenyl]-

In Other Databases

PubChem 2747458
ChemSpider 2028907