N-(3,5-Dimethyl-4-isoxazolyl)-2-(propylsulfanyl)nicotinamide

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Systematic / IUPAC Name: N-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(propylsulfanyl)nicotinamide

ID: Reference4790

Other Names: N-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(propylsulfanyl)pyridine-3-carboxamide;
3-Pyridinecarboxamide, N-(3,5-dimethyl-4-isoxazolyl)-2-(propylthio)-

Formula: C14H17N3O2S

Spectral Data

N-(3,5-Dimethyl-4-isoxazolyl)-2-(propylsulfanyl)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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/11/2016 11:54:04 AM
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Identificators

InChI InChI=1S/C14H17N3O2S/c1-4-8-20-14-11(6-5-7-15-14)13(18)16-12-9(2)17-19-10(12)3/h5-7H,4,8H2,1-3H3,(H,16,18)
InChI Key ZOKXGWUKUZECNQ-UHFFFAOYSA-N
Canonical SMILES CCCSC1=C(C=CC=N1)C(=O)NC2=C(ON=C2C)C
CAS
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Other Names N-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(propylsulfanyl)pyridine-3-carboxamide;
3-Pyridinecarboxamide, N-(3,5-dimethyl-4-isoxazolyl)-2-(propylthio)-

In Other Databases

PubChem 2815765
ChemSpider 2094129