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

Systemtic Name: (4-bromophenyl) 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: (4-bromophenyl) 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[(3-cyano-4-phenyl-6-p-phenetyl-2-pyridyl)thio]acetic acid (4-bromophenyl) ester Formula: C28H21BrN2O3S MolecularWeight: 545.44694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)OC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C28H21BrN2O3S/c1-2-33-22-12-8-20(9-13-22)26-16-24(19-6-4-3-5-7-19)25(17-30)28(31-26)35-18-27(32)34-23-14-10-21(29)11-15-23/h3-16H,2,18H2,1H3