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

Systemtic Name: N-(4-acetamidophenyl)-2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]propanamide CAS Name: N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-2-(6-butyl-3-cyanopyridin-2-yl)sulfanylpropanamide Traditional Name: N-(4-acetamidophenyl)-2-[(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)SC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-4-5-6-17-8-7-16(13-22)21(25-17)28-14(2)20(27)24-19-11-9-18(10-12-19)23-15(3)26/h7-12,14H,4-6H2,1-3H3,(H,23,26)(H,24,27)