Systematic / IUPAC Name: 2-({3-Cyano-4,6-dimethyl-5-[(E)-phenyldiazenyl]-2-pyridinyl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide
ID: Reference4630
Other Names: Acetamide, 2-({3-cyano-4,6-dimethyl-5-[(E)-2-phenyldiazenyl]-2-pyridinyl}thio)-N-[3-(methylthio)phenyl]-
Formula: C23H21N5OS2
N1-[3-(Methylthio)phenyl]-2-{[3-cyano-4,6-dimethyl-5-(2-phenyldiaz-1-enyl)-2-pyridyl]thio}acetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 | 4/25/2016 12:28:19 PM |
InChI | InChI=1S/C23H21N5OS2/c1-15-20(13-24)23(25-16(2)22(15)28-27-17-8-5-4-6-9-17)31-14-21(29)26-18-10-7-11-19(12-18)30-3/h4-12H,14H2,1-3H3,(H,26,29)/b28-27+ |
InChI Key | OXNFNJVJJUJGIZ-BYYHNAKLSA-N |
Canonical SMILES | CC1=C(C(=NC(=C1N=NC2=CC=CC=C2)C)SCC(=O)NC3=CC(=CC=C3)SC)C#N |
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Other Names | Acetamide, 2-({3-cyano-4,6-dimethyl-5-[(E)-2-phenyldiazenyl]-2-pyridinyl}thio)-N-[3-(methylthio)phenyl]- |