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

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-p-phenetyl-propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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