2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-2-phenylacetic acid IUPAC Name: 2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]-2-phenyl-acetic acid Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC(C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC(C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H20N2O3S/c1-32-21-14-12-18(13-15-21)22-16-24(19-8-4-2-5-9-19)29-26(23(22)17-28)33-25(27(30)31)20-10-6-3-7-11-20/h2-16,25H,1H3,(H,30,31)