5-(5-Amino-1-phenyl-1H-pyrazol-4-yl)-4-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

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Systematic / IUPAC Name: 5-(5-Amino-1-phenyl-1H-pyrazol-4-yl)-4-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

ID: Reference3797

Other Names: 3H-1,2,4-Triazole-3-thione, 5-(5-amino-1-phenyl-1H-pyrazol-4-yl)-4-(2,4-dichlorophenyl)-2,4-dihydro-

Formula: C17H12Cl2N6S

Spectral Data

5-(5-Amino-1-phenyl-1H-pyrazol-4-yl)-4-(2,4-dichlorophenyl)-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 107
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/11/2016 11:51:14 AM
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Identificators

InChI InChI=1S/C17H12Cl2N6S/c18-10-6-7-14(13(19)8-10)24-16(22-23-17(24)26)12-9-21-25(15(12)20)11-4-2-1-3-5-11/h1-9H,20H2,(H,23,26)
InChI Key FABDHZNNMSHHSK-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)N2C(=C(C=N2)C3=NNC(=S)N3C4=C(C=C(C=C4)Cl)Cl)N
CAS
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Other Names 3H-1,2,4-Triazole-3-thione, 5-(5-amino-1-phenyl-1H-pyrazol-4-yl)-4-(2,4-dichlorophenyl)-2,4-dihydro-

In Other Databases

PubChem 2813626
ChemSpider 2092027
ChEMBL CHEMBL1524166