2-[4-[2-[bis(4-pyridin-2-ylphenyl)methylidene]butylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[bis(4-pyridin-2-ylphenyl)methylidene]butylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[bis[4-(2-pyridyl)phenyl]methylene]butylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[2-[bis[4-(2-pyridinyl)phenyl]methylidene]butylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[2-[bis(4-pyridin-2-ylphenyl)methylidene]butylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[2-ethyl-3,3-bis[4-(2-pyridyl)phenyl]allyl]thio]-2-methyl-phenoxy]acetic acid Formula: C36H32N2O3S MolecularWeight: 572.71588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)C2=CC=CC=N2)C3=CC=C(C=C3)C4=CC=CC=N4)CSC5=CC(=C(C=C5)OCC(=O)O)C

Isomeric SMILES

CCC(=C(C1=CC=C(C=C1)C2=CC=CC=N2)C3=CC=C(C=C3)C4=CC=CC=N4)CSC5=CC(=C(C=C5)OCC(=O)O)C

InChI

InChI=1S/C36H32N2O3S/c1-3-26(24-42-31-18-19-34(25(2)22-31)41-23-35(39)40)36(29-14-10-27(11-15-29)32-8-4-6-20-37-32)30-16-12-28(13-17-30)33-9-5-7-21-38-33/h4-22H,3,23-24H2,1-2H3,(H,39,40)