3-(4-hydroxyphenyl)-7-oxidanyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one

Systemtic Name: 3-(4-hydroxyphenyl)-7-oxidanyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one Openeye Name: 7-hydroxy-3-(4-hydroxyphenyl)-2-(4-pyridylmethylsulfanyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-hydroxyphenyl)-2-(pyridin-4-ylmethylthio)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-hydroxyphenyl)-2-(4-pyridylmethylthio)chromone Formula: C21H15NO4S MolecularWeight: 377.4131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)O)SCC4=CC=NC=C4)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)O)SCC4=CC=NC=C4)O

InChI

InChI=1S/C21H15NO4S/c23-15-3-1-14(2-4-15)19-20(25)17-6-5-16(24)11-18(17)26-21(19)27-12-13-7-9-22-10-8-13/h1-11,23-24H,12H2