2-[pyridin-4-ylsulfanyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoic acid

Systemtic Name: 2-[pyridin-4-ylsulfanyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoic acid Openeye Name: 2-[4-pyridylsulfanyl-[4-(2-quinolylmethoxy)phenyl]methyl]sulfanylacetic acid CAS Name: 2-[[(pyridin-4-ylthio)-[4-(2-quinolinylmethoxy)phenyl]methyl]thio]acetic acid IUPAC Name: 2-[pyridin-4-ylsulfanyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylacetic acid Traditional Name: 2-[[(4-pyridylthio)-[4-(2-quinolylmethoxy)phenyl]methyl]thio]acetic acid Formula: C24H20N2O3S2 MolecularWeight: 448.5572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(SCC(=O)O)SC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(SCC(=O)O)SC4=CC=NC=C4

InChI

InChI=1S/C24H20N2O3S2/c27-23(28)16-30-24(31-21-11-13-25-14-12-21)18-6-9-20(10-7-18)29-15-19-8-5-17-3-1-2-4-22(17)26-19/h1-14,24H,15-16H2,(H,27,28)