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

Systemtic Name: 2-[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]thio]-N-(4-phenoxyphenyl)acetamide Formula: C36H31N3O2S MolecularWeight: 569.71524

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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)NC3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H31N3O2S/c1-36(2,3)27-16-14-25(15-17-27)31-22-33(26-10-6-4-7-11-26)39-35(32(31)23-37)42-24-34(40)38-28-18-20-30(21-19-28)41-29-12-8-5-9-13-29/h4-22H,24H2,1-3H3,(H,38,40)