4-{2-[5-Mercapto-4-(1-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl}phenol

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Systematic / IUPAC Name: 5-[2-(4-Hydroxyphenyl)ethyl]-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

ID: Reference5558

Other Names: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-[2-(4-hydroxyphenyl)ethyl]-4-(1-phenylethyl)-

Formula: C18H19N3OS

Spectral Data

4-{2-[5-Mercapto-4-(1-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl}phenol 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 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/12/2016 9:36:10 AM
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Identificators

InChI InChI=1S/C18H19N3OS/c1-13(15-5-3-2-4-6-15)21-17(19-20-18(21)23)12-9-14-7-10-16(22)11-8-14/h2-8,10-11,13,22H,9,12H2,1H3,(H,20,23)
InChI Key CFOKTTYFJMWEKH-UHFFFAOYSA-N
Canonical SMILES CC(C1=CC=CC=C1)N2C(=NNC2=S)CCC3=CC=C(C=C3)O
CAS
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Other Names 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-[2-(4-hydroxyphenyl)ethyl]-4-(1-phenylethyl)-

In Other Databases

PubChem 2797306
ChemSpider 2076113