(4-bromophenyl) 2-[6-(4-chlorophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: (4-bromophenyl) 2-[6-(4-chlorophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: (4-bromophenyl) 2-[[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]acetic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-[6-(4-chlorophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]acetic acid (4-bromophenyl) ester Formula: C26H16BrClN2O2S MolecularWeight: 535.83944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)OC3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)OC3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H16BrClN2O2S/c27-19-8-12-21(13-9-19)32-25(31)16-33-26-23(15-29)22(17-4-2-1-3-5-17)14-24(30-26)18-6-10-20(28)11-7-18/h1-14H,16H2