3-(2-ethylphenyl)sulfanyl-2-oxidanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one

Systemtic Name: 3-(2-ethylphenyl)sulfanyl-2-oxidanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Openeye Name: 3-(2-ethylphenyl)sulfanyl-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one CAS Name: 3-[(2-ethylphenyl)thio]-2-hydroxy-6-[4-(3-pyridinylmethoxy)phenyl]-4-pyranone IUPAC Name: 3-(2-ethylphenyl)sulfanyl-2-hydroxy-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Traditional Name: 3-[(2-ethylphenyl)thio]-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)O

Isomeric SMILES

CCC1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)O

InChI

InChI=1S/C25H21NO4S/c1-2-18-7-3-4-8-23(18)31-24-21(27)14-22(30-25(24)28)19-9-11-20(12-10-19)29-16-17-6-5-13-26-15-17/h3-15,28H,2,16H2,1H3