3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(4-isopropylphenyl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-p-cumenyl-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=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)C(C)C

InChI

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