3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C21H25N3O3S/c1-14(2)11-16-6-5-15(13-22)21(23-16)28-10-9-20(25)24-18-12-17(26-3)7-8-19(18)27-4/h5-8,12,14H,9-11H2,1-4H3,(H,24,25)