(4-phenylmethoxyphenyl) 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (4-phenylmethoxyphenyl) 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: (4-benzyloxyphenyl) 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]acetic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetic acid (4-benzoxyphenyl) ester Formula: C33H24N2O3S MolecularWeight: 528.62026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C33H24N2O3S/c34-21-30-29(25-12-6-2-7-13-25)20-31(26-14-8-3-9-15-26)35-33(30)39-23-32(36)38-28-18-16-27(17-19-28)37-22-24-10-4-1-5-11-24/h1-20H,22-23H2