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

Systemtic Name: (phenylmethyl) 2-[3-cyano-4-(3-fluorophenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-4-(3-fluorophenyl)-6-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(3-fluorophenyl)-6-phenyl-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-cyano-4-(3-fluorophenyl)-6-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(3-fluorophenyl)-6-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=CC=C3)C4=CC(=CC=C4)F)C#N

Isomeric SMILES

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

InChI

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