2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-octyl-ethanamide

Systemtic Name: 2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-octyl-ethanamide Openeye Name: 2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-N-octyl-acetamide CAS Name: 2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-N-octylacetamide IUPAC Name: 2-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-N-octylacetamide Traditional Name: 2-[(3-cyano-6-phenyl-2-pyridyl)thio]-N-octyl-acetamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CSC1=C(C=CC(=N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCCCCCCNC(=O)CSC1=C(C=CC(=N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C22H27N3OS/c1-2-3-4-5-6-10-15-24-21(26)17-27-22-19(16-23)13-14-20(25-22)18-11-8-7-9-12-18/h7-9,11-14H,2-6,10,15,17H2,1H3,(H,24,26)