N-(2,3-Dihydro-1H-indol-1-ylcarbothioyl)-5-(2-phenylethynyl)nicotinamide

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Systematic / IUPAC Name: N-(2,3-Dihydro-1H-indol-1-ylcarbonothioyl)-5-(phenylethynyl)nicotinamide

ID: Reference7074

Other Names: 3-Pyridinecarboxamide, N-[(2,3-dihydro-1H-indol-1-yl)thioxomethyl]-5-(2-phenylethynyl)-

Formula: C23H17N3OS

Spectral Data

N-(2,3-Dihydro-1H-indol-1-ylcarbothioyl)-5-(2-phenylethynyl)nicotinamide 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 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/23/2017 2:25:46 PM
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Identificators

InChI InChI=1S/C23H17N3OS/c27-22(25-23(28)26-13-12-19-8-4-5-9-21(19)26)20-14-18(15-24-16-20)11-10-17-6-2-1-3-7-17/h1-9,14-16H,12-13H2,(H,25,27,28)
InChI Key ATGDVLZIMVZXBD-UHFFFAOYSA-N
Canonical SMILES C1CN(C2=CC=CC=C21)C(=S)NC(=O)C3=CN=CC(=C3)C#CC4=CC=CC=C4
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Other Names 3-Pyridinecarboxamide, N-[(2,3-dihydro-1H-indol-1-yl)thioxomethyl]-5-(2-phenylethynyl)-

In Other Databases

PubChem 2823201
ChemSpider 2101414