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

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-(4-phenoxyphenyl)butyramide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=C(C=CC(=N3)CC(C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=C(C=CC(=N3)CC(C)C)C#N

InChI

InChI=1S/C26H27N3O2S/c1-4-24(32-26-19(17-27)10-11-21(29-26)16-18(2)3)25(30)28-20-12-14-23(15-13-20)31-22-8-6-5-7-9-22/h5-15,18,24H,4,16H2,1-3H3,(H,28,30)