4-Amino-2-{[4-benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile

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Systematic / IUPAC Name: 4-Amino-2-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile

ID: Reference8643

Other Names: 5-Pyrimidinecarbonitrile, 4-amino-2-[[5-(4-chlorophenyl)-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-;
4-Amino-2-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile

Formula: C20H14ClN7S

Spectral Data

4-Amino-2-{[4-benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile 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 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/6/2019 11:08:32 AM
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Identificators

InChI InChI=1S/C20H14ClN7S/c21-16-8-6-14(7-9-16)18-26-27-20(28(18)12-13-4-2-1-3-5-13)29-19-24-11-15(10-22)17(23)25-19/h1-9,11H,12H2,(H2,23,24,25)
InChI Key DRHUSZUZYNQHLT-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)CN2C(=NN=C2SC3=NC=C(C(=N3)N)C#N)C4=CC=C(C=C4)Cl
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Other Names 5-Pyrimidinecarbonitrile, 4-amino-2-[[5-(4-chlorophenyl)-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-;
4-Amino-2-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile

In Other Databases

ChemSpider 2094893
PubChem 2816554