N-(2-Cyanoethyl)-N'-(4-fluorophenyl)-N-(4-pyridylmethyl)thiourea

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Systematic / IUPAC Name: 1-(2-Cyanoethyl)-3-(4-fluorophenyl)-1-(4-pyridinylmethyl)thiourea

ID: Reference4576

Other Names: Thiourea, N-(2-cyanoethyl)-N'-(4-fluorophenyl)-N-(4-pyridinylmethyl)-

Formula: C16H15FN4S

Spectral Data

N-(2-Cyanoethyl)-N'-(4-fluorophenyl)-N-(4-pyridylmethyl)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 236
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/15/2016 1:07:00 PM
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Identificators

InChI InChI=1S/C16H15FN4S/c17-14-2-4-15(5-3-14)20-16(22)21(11-1-8-18)12-13-6-9-19-10-7-13/h2-7,9-10H,1,11-12H2,(H,20,22)
InChI Key UNGNTVSWDRBCDT-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1NC(=S)N(CCC#N)CC2=CC=NC=C2)F
CAS
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Other Names Thiourea, N-(2-cyanoethyl)-N'-(4-fluorophenyl)-N-(4-pyridinylmethyl)-

In Other Databases

ChemSpider 2096944
PubChem 2818694