3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C=CC=C2CC)C

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C=CC=C2CC)C

InChI

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