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

Systemtic Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)propanamide Openeye Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide CAS Name: 3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(3,5-dimethoxyphenyl)propanamide IUPAC Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)propanamide Traditional Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-(3,5-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=CC(=CC(=C2)OC)OC

Isomeric SMILES

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

InChI

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