N-[2,4-bis(bromanyl)phenyl]-2-(6-tert-butyl-3-cyano-4-phenyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,4-bis(bromanyl)phenyl]-2-(6-tert-butyl-3-cyano-4-phenyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide CAS Name: 2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridinyl)thio]-N-(2,4-dibromophenyl)acetamide IUPAC Name: 2-(6-tert-butyl-3-cyano-4-phenylpyridin-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide Traditional Name: 2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridyl)thio]-N-(2,4-dibromophenyl)acetamide Formula: C24H21Br2N3OS MolecularWeight: 559.31604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCC(=O)NC3=C(C=C(C=C3)Br)Br

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCC(=O)NC3=C(C=C(C=C3)Br)Br

InChI

InChI=1S/C24H21Br2N3OS/c1-24(2,3)21-12-17(15-7-5-4-6-8-15)18(13-27)23(29-21)31-14-22(30)28-20-10-9-16(25)11-19(20)26/h4-12H,14H2,1-3H3,(H,28,30)