2-(6-tert-butyl-3-cyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(4-tert-butylphenyl)ethanamide

Systemtic Name: 2-(6-tert-butyl-3-cyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(4-tert-butylphenyl)ethanamide Openeye Name: 2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridyl)sulfanyl]-N-(4-tert-butylphenyl)acetamide CAS Name: 2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridinyl)thio]-N-(4-tert-butylphenyl)acetamide IUPAC Name: 2-(6-tert-butyl-3-cyano-4-phenylpyridin-2-yl)sulfanyl-N-(4-tert-butylphenyl)acetamide Traditional Name: 2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridyl)thio]-N-(4-tert-butylphenyl)acetamide Formula: C28H31N3OS MolecularWeight: 457.63024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C(C)(C)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C(C)(C)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C28H31N3OS/c1-27(2,3)20-12-14-21(15-13-20)30-25(32)18-33-26-23(17-29)22(19-10-8-7-9-11-19)16-24(31-26)28(4,5)6/h7-16H,18H2,1-6H3,(H,30,32)