4-Bicyclo[2.2.1]hept-5-en-2-yl-3-[(4-chlorobenzyl)thio]-4,5-dihydro-1H-1,2,4-triazol-5-one

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Systematic / IUPAC Name: 4-(Bicyclo[2.2.1]hept-5-en-2-yl)-5-[(4-chlorobenzyl)sulfanyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

ID: Reference4627

Other Names: 3H-1,2,4-Triazol-3-one, 4-bicyclo[2.2.1]hept-5-en-2-yl-5-{[(4-chlorophenyl)methyl]thio}-2,4-dihydro-

Formula: C16H16ClN3OS

Spectral Data

4-Bicyclo[2.2.1]hept-5-en-2-yl-3-[(4-chlorobenzyl)thio]-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 4/25/2016 11:39:01 AM
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Identificators

InChI InChI=1S/C16H16ClN3OS/c17-13-5-2-10(3-6-13)9-22-16-19-18-15(21)20(16)14-8-11-1-4-12(14)7-11/h1-6,11-12,14H,7-9H2,(H,18,21)
InChI Key RXFGXLAWXKSNCZ-UHFFFAOYSA-N
Canonical SMILES C1C2CC(C1C=C2)N3C(=O)NN=C3SCC4=CC=C(C=C4)Cl
CAS
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Other Names 3H-1,2,4-Triazol-3-one, 4-bicyclo[2.2.1]hept-5-en-2-yl-5-{[(4-chlorophenyl)methyl]thio}-2,4-dihydro-

In Other Databases

PubChem 2747024
ChemSpider 2028473