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

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(2-ethoxyphenyl)propanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(2-ethoxyphenyl)propanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(2-ethoxyphenyl)propanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(2-ethoxyphenyl)propanamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-o-phenetyl-propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC=CC=C2OCC

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC=CC=C2OCC

InChI

InChI=1S/C21H25N3O2S/c1-4-6-9-17-13-12-16(14-22)21(23-17)27-15(3)20(25)24-18-10-7-8-11-19(18)26-5-2/h7-8,10-13,15H,4-6,9H2,1-3H3,(H,24,25)