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

Systemtic Name: 7-[(3-nitrophenyl)methoxy]-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one Openeye Name: 7-[(3-nitrophenyl)methoxy]-3-phenyl-2-(4-pyridylmethylsulfanyl)chromen-4-one CAS Name: 7-[(3-nitrophenyl)methoxy]-3-phenyl-2-(pyridin-4-ylmethylthio)-1-benzopyran-4-one IUPAC Name: 7-[(3-nitrophenyl)methoxy]-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one Traditional Name: 7-(3-nitrobenzyl)oxy-3-phenyl-2-(4-pyridylmethylthio)chromone Formula: C28H20N2O5S MolecularWeight: 496.5338

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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=C4)[N+](=O)[O-])SCC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC(=CC=C4)[N+](=O)[O-])SCC5=CC=NC=C5

InChI

InChI=1S/C28H20N2O5S/c31-27-24-10-9-23(34-17-20-5-4-8-22(15-20)30(32)33)16-25(24)35-28(26(27)21-6-2-1-3-7-21)36-18-19-11-13-29-14-12-19/h1-16H,17-18H2