2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O2S/c1-17(2)15-21-10-9-19(16-26)25(28-21)31-18(3)24(29)27-20-11-13-23(14-12-20)30-22-7-5-4-6-8-22/h4-14,17-18H,15H2,1-3H3,(H,27,29)