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

Systemtic Name: N-(4-acetamidophenyl)-3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-acetamidophenyl)-3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]propanamide CAS Name: N-(4-acetamidophenyl)-3-[(6-butyl-3-cyano-2-pyridinyl)thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-3-(6-butyl-3-cyanopyridin-2-yl)sulfanylpropanamide Traditional Name: N-(4-acetamidophenyl)-3-[(6-butyl-3-cyano-2-pyridyl)thio]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-3-4-5-17-7-6-16(14-22)21(25-17)28-13-12-20(27)24-19-10-8-18(9-11-19)23-15(2)26/h6-11H,3-5,12-13H2,1-2H3,(H,23,26)(H,24,27)