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

Systemtic Name: 4-[[3-cyano-4-(furan-2-yl)-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[3-cyano-4-(2-furyl)-6-(4-methoxyphenyl)-2-pyridyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[3-cyano-4-(2-furanyl)-6-(4-methoxyphenyl)-2-pyridinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[3-cyano-4-(furan-2-yl)-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[3-cyano-4-(2-furyl)-6-(4-methoxyphenyl)-2-pyridyl]thio]methyl]benzoic acid Formula: C25H18N2O4S MolecularWeight: 442.48642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CO3)C#N)SCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CO3)C#N)SCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H18N2O4S/c1-30-19-10-8-17(9-11-19)22-13-20(23-3-2-12-31-23)21(14-26)24(27-22)32-15-16-4-6-18(7-5-16)25(28)29/h2-13H,15H2,1H3,(H,28,29)