5-(4-Chlorophenyl)-3-{[(4-chlorophenyl)thio]methyl}-1H-1,2,4-triazole

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Systematic / IUPAC Name: 3-(4-Chlorophenyl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,4-triazole

ID: Reference4362

Other Names: 5-(4-Chlorophenyl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,4-triazole

Formula: C15H11Cl2N3S

Spectral Data

5-(4-Chlorophenyl)-3-{[(4-chlorophenyl)thio]methyl}-1H-1,2,4-triazole 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 3/24/2016 12:05:01 PM
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Identificators

InChI InChI=1S/C15H11Cl2N3S/c16-11-3-1-10(2-4-11)15-18-14(19-20-15)9-21-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,19,20)
InChI Key QAFYIAMZMFFEAQ-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1C2=NNC(=N2)CSC3=CC=C(C=C3)Cl)Cl
CAS
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Other Names 5-(4-Chlorophenyl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,4-triazole

In Other Databases

PubChem 2806990
ChemSpider 2085468