N-{[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-(methylsulfanyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-4-amine

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Systematic / IUPAC Name: (E)-1-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[3-(methylsulfanyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-4-yl]methanimine

ID: Reference4150

Other Names: N-{[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-(methylsulfanyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-4-amine

Formula: C24H18ClN7S

Spectral Data

N-{[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-(methylsulfanyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-4-amine 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 190
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/10/2016 1:58:40 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H18ClN7S/c1-33-24-29-28-23(18-11-13-26-14-12-18)32(24)27-15-19-16-31(21-5-3-2-4-6-21)30-22(19)17-7-9-20(25)10-8-17/h2-16H,1H3/b27-15+
InChI Key ZFAPZTVIEFOANF-JFLMPSFJSA-N
Canonical SMILES CSC1=NN=C(N1N=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=NC=C5
CAS
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Other Names N-{[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-(methylsulfanyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-4-amine

In Other Databases

PubChem 9583948
ChEMBL CHEMBL3212529
ChemSpider 7858095