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

Systemtic Name: (4-bromophenyl) 2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: (4-bromophenyl) 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]acetic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]acetic acid (4-bromophenyl) ester Formula: C27H19BrN2O3S MolecularWeight: 531.42036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C27H19BrN2O3S/c1-32-21-11-7-18(8-12-21)23-15-25(19-5-3-2-4-6-19)30-27(24(23)16-29)34-17-26(31)33-22-13-9-20(28)10-14-22/h2-15H,17H2,1H3