3-phenyl-7-(pyridin-2-ylmethoxy)-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one

Systemtic Name: 3-phenyl-7-(pyridin-2-ylmethoxy)-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one Openeye Name: 3-phenyl-7-(2-pyridylmethoxy)-2-(4-pyridylmethylsulfanyl)chromen-4-one CAS Name: 3-phenyl-7-(2-pyridinylmethoxy)-2-(pyridin-4-ylmethylthio)-1-benzopyran-4-one IUPAC Name: 3-phenyl-7-(pyridin-2-ylmethoxy)-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one Traditional Name: 3-phenyl-7-(2-pyridylmethoxy)-2-(4-pyridylmethylthio)chromone Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC=CC=N4)SCC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC=CC=N4)SCC5=CC=NC=C5

InChI

InChI=1S/C27H20N2O3S/c30-26-23-10-9-22(31-17-21-8-4-5-13-29-21)16-24(23)32-27(25(26)20-6-2-1-3-7-20)33-18-19-11-14-28-15-12-19/h1-16H,17-18H2