2-{[4-Benzyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3,4-dihydro-1(2H)-quinolinyl]-1-ethanone

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Systematic / IUPAC Name: 2-[(4-Benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

ID: Reference6088

Other Names: 1-({[4-Benzyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroquinoline;
Ethanone, 1-(3,4-dihydro-1(2H)-quinolinyl)-2-{[4-(phenylmethyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-

Formula: C25H23N5OS

Spectral Data

2-{[4-Benzyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3,4-dihydro-1(2H)-quinolinyl]-1-ethanone 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 11/24/2016 3:55:11 PM
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Identificators

InChI InChI=1S/C25H23N5OS/c31-23(29-16-6-10-20-9-4-5-11-22(20)29)18-32-25-28-27-24(21-12-14-26-15-13-21)30(25)17-19-7-2-1-3-8-19/h1-5,7-9,11-15H,6,10,16-18H2
InChI Key OWYXQIUMAQSPJQ-UHFFFAOYSA-N
Canonical SMILES C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5
CAS
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Other Names 1-({[4-Benzyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroquinoline;
Ethanone, 1-(3,4-dihydro-1(2H)-quinolinyl)-2-{[4-(phenylmethyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-

In Other Databases

PubChem 2816534
ChemSpider 2094873