(phenylmethyl) 2-[3-cyano-6-(4-fluorophenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[3-cyano-6-(4-fluorophenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridyl]thio]acetic acid benzyl ester Formula: C27H19FN2O2S MolecularWeight: 454.515363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H19FN2O2S/c28-22-13-11-21(12-14-22)25-15-23(20-9-5-2-6-10-20)24(16-29)27(30-25)33-18-26(31)32-17-19-7-3-1-4-8-19/h1-15H,17-18H2