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

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)butanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(3,5-dimethoxyphenyl)butanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(3,5-dimethoxyphenyl)butanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)butanamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(3,5-dimethoxyphenyl)butyramide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-5-7-8-16-10-9-15(14-23)22(25-16)29-20(6-2)21(26)24-17-11-18(27-3)13-19(12-17)28-4/h9-13,20H,5-8H2,1-4H3,(H,24,26)