2-({[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}thio)aniline

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Systematic / IUPAC Name: 2-({[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)aniline

ID: Reference4618

Other Names: Benzenamine, 2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}thio)-

Formula: C15H12ClN3OS

Spectral Data

2-({[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}thio)aniline 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 4/25/2016 8:25:31 AM
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Identificators

InChI InChI=1S/C15H12ClN3OS/c16-11-7-5-10(6-8-11)15-18-14(20-19-15)9-21-13-4-2-1-3-12(13)17/h1-8H,9,17H2
InChI Key WMESLCACTLPGTE-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C(=C1)N)SCC2=NC(=NO2)C3=CC=C(C=C3)Cl
CAS
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Other Names Benzenamine, 2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}thio)-

In Other Databases

PubChem 2803735
ChemSpider 2082353