2-[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N,N-diphenyl-ethanamide

Systemtic Name: 2-[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N,N-diphenyl-ethanamide Openeye Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]-N,N-diphenyl-acetamide CAS Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]-N,N-diphenylacetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N,N-diphenylacetamide Traditional Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]thio]-N,N-diphenyl-acetamide Formula: C36H31N3OS MolecularWeight: 553.71584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H31N3OS/c1-36(2,3)28-21-19-26(20-22-28)31-23-33(27-13-7-4-8-14-27)38-35(32(31)24-37)41-25-34(40)39(29-15-9-5-10-16-29)30-17-11-6-12-18-30/h4-23H,25H2,1-3H3