N2-(2-Cyanoethyl)-N2-(4-pyridylmethyl)-3-chlorobenzo[b]thiophene-2-carboxamide

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Systematic / IUPAC Name: 3-Chloro-N-(2-cyanoethyl)-N-(4-pyridinylmethyl)-1-benzothiophene-2-carboxamide

ID: Reference4604

Other Names: Benzo[b]thiophene-2-carboxamide, 3-chloro-N-(2-cyanoethyl)-N-(4-pyridinylmethyl)-

Formula: C18H14ClN3OS

Spectral Data

N2-(2-Cyanoethyl)-N2-(4-pyridylmethyl)-3-chlorobenzo[b]thiophene-2-carboxamide 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 4/22/2016 6:21:41 AM
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Identificators

InChI InChI=1S/C18H14ClN3OS/c19-16-14-4-1-2-5-15(14)24-17(16)18(23)22(11-3-8-20)12-13-6-9-21-10-7-13/h1-2,4-7,9-10H,3,11-12H2
InChI Key VHDPBVTWHQRYLJ-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=C(S2)C(=O)N(CCC#N)CC3=CC=NC=C3)Cl
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Other Names Benzo[b]thiophene-2-carboxamide, 3-chloro-N-(2-cyanoethyl)-N-(4-pyridinylmethyl)-

In Other Databases

PubChem 2796425
ChemSpider 2075286