5-Benzyl-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

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Systematic / IUPAC Name: 5-Benzyl-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

ID: Reference5675

Other Names: 5-Benzyl-4-(4-chlorophenyl)-4H-

Formula: C15H12ClN3S

Spectral Data

5-Benzyl-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 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 9/22/2016 7:12:36 AM
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Identificators

InChI InChI=1S/C15H12ClN3S/c16-12-6-8-13(9-7-12)19-14(17-18-15(19)20)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20)
InChI Key JDJDUNCKBAJQLX-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC=C(C=C3)Cl
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Other Names 5-Benzyl-4-(4-chlorophenyl)-4H-

In Other Databases

ChEMBL CHEMBL1533027
ChemSpider 745719
PubChem 853297