N-Allyl-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carbothioamide

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Systematic / IUPAC Name: N-Allyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide

ID: Reference7101

Other Names: 1-Piperazinecarbothioamide, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-2-propen-1-yl-;
4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-N-prop-2-enylpiperazine-1-carbothioamide

Formula: C14H16ClF3N4S

Spectral Data

N-Allyl-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carbothioamide 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 11/28/2017 1:57:18 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C14H16ClF3N4S/c1-2-3-19-13(23)22-6-4-21(5-7-22)12-11(15)8-10(9-20-12)14(16,17)18/h2,8-9H,1,3-7H2,(H,19,23)
InChI Key CMFYJOVOYDSPRK-UHFFFAOYSA-N
Canonical SMILES C=CCNC(=S)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl
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Other Names 1-Piperazinecarbothioamide, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-2-propen-1-yl-;
4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-N-prop-2-enylpiperazine-1-carbothioamide

In Other Databases

ChEMBL CHEMBL1375053
PubChem 2741677
ChemSpider 2023233