4-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylmethyl]benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H20N2O3S/c1-32-22-13-11-19(12-14-22)23-15-25(20-5-3-2-4-6-20)29-26(24(23)16-28)33-17-18-7-9-21(10-8-18)27(30)31/h2-15H,17H2,1H3,(H,30,31)