5-[5-methyl-2-propan-2-yl-3-(pyridin-3-ylmethoxy)phenyl]-6-oxidanyl-2-phenyl-3-sulfanylidene-pyran-4-one

Systemtic Name: 5-[5-methyl-2-propan-2-yl-3-(pyridin-3-ylmethoxy)phenyl]-6-oxidanyl-2-phenyl-3-sulfanylidene-pyran-4-one Openeye Name: 6-hydroxy-5-[2-isopropyl-5-methyl-3-(3-pyridylmethoxy)phenyl]-2-phenyl-3-thioxo-pyran-4-one CAS Name: 6-hydroxy-5-[5-methyl-2-propan-2-yl-3-(3-pyridinylmethoxy)phenyl]-2-phenyl-3-sulfanylidene-4-pyranone IUPAC Name: 6-hydroxy-5-[5-methyl-2-propan-2-yl-3-(pyridin-3-ylmethoxy)phenyl]-2-phenyl-3-sulfanylidenepyran-4-one Traditional Name: 6-hydroxy-5-[2-isopropyl-5-methyl-3-(3-pyridylmethoxy)phenyl]-2-phenyl-3-thioxo-pyran-4-one Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=C(OC(C(=S)C2=O)C3=CC=CC=C3)O)C(C)C)OCC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=C(OC(C(=S)C2=O)C3=CC=CC=C3)O)C(C)C)OCC4=CN=CC=C4

InChI

InChI=1S/C27H25NO4S/c1-16(2)22-20(12-17(3)13-21(22)31-15-18-8-7-11-28-14-18)23-24(29)26(33)25(32-27(23)30)19-9-5-4-6-10-19/h4-14,16,25,30H,15H2,1-3H3