2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)propanamide

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)propanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(3,5-dimethoxyphenyl)propanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)propanamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(3,5-dimethoxyphenyl)propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-5-6-7-16-9-8-15(13-22)21(24-16)28-14(2)20(25)23-17-10-18(26-3)12-19(11-17)27-4/h8-12,14H,5-7H2,1-4H3,(H,23,25)