N-[4-(3-Chlorophenyl)-2,5-dioxopiperazino]-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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Systematic / IUPAC Name: N-[4-(3-Chlorophenyl)-2,5-dioxo-1-piperazinyl]-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

ID: Reference5231

Other Names: Acetamide, N-[4-(3-chlorophenyl)-2,5-dioxo-1-piperazinyl]-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-

Formula: C20H18ClN7O3S

Spectral Data

N-[4-(3-Chlorophenyl)-2,5-dioxopiperazino]-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide 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 248
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/22/2016 5:54:43 AM
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Identificators

InChI InChI=1S/C20H18ClN7O3S/c1-26-19(13-5-7-22-8-6-13)23-24-20(26)32-12-16(29)25-28-11-17(30)27(10-18(28)31)15-4-2-3-14(21)9-15/h2-9H,10-12H2,1H3,(H,25,29)
InChI Key VWHLZXASEGXMLM-UHFFFAOYSA-N
Canonical SMILES CN1C(=NN=C1SCC(=O)NN2CC(=O)N(CC2=O)C3=CC(=CC=C3)Cl)C4=CC=NC=C4
CAS
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Other Names Acetamide, N-[4-(3-chlorophenyl)-2,5-dioxo-1-piperazinyl]-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-

In Other Databases

ChemSpider 2095287
PubChem 2816961