4-[4-(Benzyloxy)phenyl]-3-[(4-methylbenzyl)sulfanyl]-4,5-dihydro-1H-1,2,4-triazol-5-one

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Systematic / IUPAC Name: 3-[(4-Methylphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one

ID: Reference6354

Other Names: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[[(4-methylphenyl)methyl]thio]-4-[4-(phenylmethoxy)phenyl]-

Formula: C23H21N3O2S

Spectral Data

4-[4-(Benzyloxy)phenyl]-3-[(4-methylbenzyl)sulfanyl]-4,5-dihydro-1H-1,2,4-triazol-5-one 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/24/2017 12:03:43 PM
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Identificators

InChI InChI=1S/C23H21N3O2S/c1-17-7-9-19(10-8-17)16-29-23-25-24-22(27)26(23)20-11-13-21(14-12-20)28-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,27)
InChI Key ARNFADLOHIABEN-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)CSC2=NNC(=O)N2C3=CC=C(C=C3)OCC4=CC=CC=C4
CAS
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Other Names 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[[(4-methylphenyl)methyl]thio]-4-[4-(phenylmethoxy)phenyl]-

In Other Databases

ChemSpider 2028558
PubChem 2747109