4-Cyclohexyl-5-{[3-(trifluoromethyl)-2-pyridyl]thio}-4H-1,2,4-triazol-3-ol

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Systematic / IUPAC Name: 4-Cyclohexyl-5-{[3-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

ID: Reference4577

Other Names: 3H-1,2,4-Triazol-3-one, 4-cyclohexyl-2,4-dihydro-5-{[3-(trifluoromethyl)-2-pyridinyl]thio}-

Formula: C14H15F3N4OS

Spectral Data

4-Cyclohexyl-5-{[3-(trifluoromethyl)-2-pyridyl]thio}-4H-1,2,4-triazol-3-ol 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 4/18/2016 6:34:27 AM
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Identificators

InChI InChI=1S/C14H15F3N4OS/c15-14(16,17)10-7-4-8-18-11(10)23-13-20-19-12(22)21(13)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,19,22)
InChI Key HWMSWVJTHJLOTQ-UHFFFAOYSA-N
Canonical SMILES C1CCC(CC1)N2C(=O)NN=C2SC3=C(C=CC=N3)C(F)(F)F
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Other Names 3H-1,2,4-Triazol-3-one, 4-cyclohexyl-2,4-dihydro-5-{[3-(trifluoromethyl)-2-pyridinyl]thio}-

In Other Databases

PubChem 2744619
ChemSpider 2026109