N-[(5-Chloro-1-benzothiophen-3-yl)methyl]-2-(4-chlorophenoxy)nicotinamide

enlarge

Systematic / IUPAC Name: N-[(5-Chloro-1-benzothiophen-3-yl)methyl]-2-(4-chlorophenoxy)nicotinamide

ID: Reference4454

Other Names: 3-Pyridinecarboxamide, N-[(5-chlorobenzo[b]thien-3-yl)methyl]-2-(4-chlorophenoxy)-

Formula: C21H14Cl2N2O2S

Spectral Data

N-[(5-Chloro-1-benzothiophen-3-yl)methyl]-2-(4-chlorophenoxy)nicotinamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

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 4/7/2016 12:49:21 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H14Cl2N2O2S/c22-14-3-6-16(7-4-14)27-21-17(2-1-9-24-21)20(26)25-11-13-12-28-19-8-5-15(23)10-18(13)19/h1-10,12H,11H2,(H,25,26)
InChI Key QYHBXEIVDFWXED-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(N=C1)OC2=CC=C(C=C2)Cl)C(=O)NCC3=CSC4=C3C=C(C=C4)Cl
CAS
Splash
Other Names 3-Pyridinecarboxamide, N-[(5-chlorobenzo[b]thien-3-yl)methyl]-2-(4-chlorophenoxy)-

In Other Databases

ChemSpider 2090075
PubChem 2811665