7-[(4-bromophenyl)methoxy]-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one

Systemtic Name: 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one Openeye Name: 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(4-pyridylmethylsulfanyl)chromen-4-one CAS Name: 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(pyridin-4-ylmethylthio)-1-benzopyran-4-one IUPAC Name: 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one Traditional Name: 7-(4-bromobenzyl)oxy-3-phenyl-2-(4-pyridylmethylthio)chromone Formula: C28H20BrNO3S MolecularWeight: 530.4323

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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=C(C=C4)Br)SCC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC=C(C=C4)Br)SCC5=CC=NC=C5

InChI

InChI=1S/C28H20BrNO3S/c29-22-8-6-19(7-9-22)17-32-23-10-11-24-25(16-23)33-28(34-18-20-12-14-30-15-13-20)26(27(24)31)21-4-2-1-3-5-21/h1-16H,17-18H2