2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

Systemtic Name: 2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Openeye Name: 2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide CAS Name: 2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide IUPAC Name: 2-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Traditional Name: 2-[(3-cyano-6-phenyl-2-pyridyl)thio]-N-homoveratryl-butyramide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C26H27N3O3S/c1-4-24(25(30)28-15-14-18-10-13-22(31-2)23(16-18)32-3)33-26-20(17-27)11-12-21(29-26)19-8-6-5-7-9-19/h5-13,16,24H,4,14-15H2,1-3H3,(H,28,30)