(2R)-N-(4-bromophenyl)-2-(6-tert-butyl-3-cyano-4-phenyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(4-bromophenyl)-2-(6-tert-butyl-3-cyano-4-phenyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(4-bromophenyl)-2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridyl)sulfanyl]propanamide CAS Name: (2R)-N-(4-bromophenyl)-2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridinyl)thio]propanamide IUPAC Name: (2R)-N-(4-bromophenyl)-2-(6-tert-butyl-3-cyano-4-phenylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(4-bromophenyl)-2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridyl)thio]propionamide Formula: C25H24BrN3OS MolecularWeight: 494.44656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=C(C(=CC(=N2)C(C)(C)C)C3=CC=CC=C3)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)SC2=C(C(=CC(=N2)C(C)(C)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H24BrN3OS/c1-16(23(30)28-19-12-10-18(26)11-13-19)31-24-21(15-27)20(17-8-6-5-7-9-17)14-22(29-24)25(2,3)4/h5-14,16H,1-4H3,(H,28,30)/t16-/m1/s1