(E)-N-(3-pyridin-4-ylsulfanylpropyl)octadec-9-enamide

Systemtic Name: (E)-N-(3-pyridin-4-ylsulfanylpropyl)octadec-9-enamide Openeye Name: (E)-N-[3-(4-pyridylsulfanyl)propyl]octadec-9-enamide CAS Name: (E)-N-[3-(pyridin-4-ylthio)propyl]-9-octadecenamide IUPAC Name: (E)-N-(3-pyridin-4-ylsulfanylpropyl)octadec-9-enamide Traditional Name: (E)-N-[3-(4-pyridylthio)propyl]octadec-9-enamide Formula: C26H44N2OS MolecularWeight: 432.70536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCCSC1=CC=NC=C1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCCCSC1=CC=NC=C1

InChI

InChI=1S/C26H44N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26(29)28-21-17-24-30-25-19-22-27-23-20-25/h9-10,19-20,22-23H,2-8,11-18,21,24H2,1H3,(H,28,29)/b10-9+