[4-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl](diphenyl)methanol

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Systematic / IUPAC Name: 4-(4-Fluorophenyl)-5-[hydroxy(diphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

ID: Reference5011

Other Names: 3H-1,2,4-Triazole-3-thione, 4-(4-fluorophenyl)-2,4-dihydro-5-(hydroxydiphenylmethyl)-

Formula: C21H16FN3OS

Spectral Data

[4-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl](diphenyl)methanol 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 6/20/2016 9:29:07 AM
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Identificators

InChI InChI=1S/C21H16FN3OS/c22-17-11-13-18(14-12-17)25-19(23-24-20(25)27)21(26,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,26H,(H,24,27)
InChI Key NKHVLKTZMSQVQL-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NNC(=S)N3C4=CC=C(C=C4)F)O
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Other Names 3H-1,2,4-Triazole-3-thione, 4-(4-fluorophenyl)-2,4-dihydro-5-(hydroxydiphenylmethyl)-

In Other Databases

PubChem 2797253
ChemSpider 2076063