2-oxidanyl-3-(2-propan-2-ylphenyl)sulfanyl-6-[4-(pyrazin-2-ylmethoxy)phenyl]pyran-4-one

Systemtic Name: 2-oxidanyl-3-(2-propan-2-ylphenyl)sulfanyl-6-[4-(pyrazin-2-ylmethoxy)phenyl]pyran-4-one Openeye Name: 2-hydroxy-3-(2-isopropylphenyl)sulfanyl-6-[4-(pyrazin-2-ylmethoxy)phenyl]pyran-4-one CAS Name: 2-hydroxy-3-[(2-propan-2-ylphenyl)thio]-6-[4-(2-pyrazinylmethoxy)phenyl]-4-pyranone IUPAC Name: 2-hydroxy-3-(2-propan-2-ylphenyl)sulfanyl-6-[4-(pyrazin-2-ylmethoxy)phenyl]pyran-4-one Traditional Name: 2-hydroxy-3-(o-cumenylthio)-6-[4-(pyrazin-2-ylmethoxy)phenyl]pyran-4-one Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=NC=CN=C4)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=NC=CN=C4)O

InChI

InChI=1S/C25H22N2O4S/c1-16(2)20-5-3-4-6-23(20)32-24-21(28)13-22(31-25(24)29)17-7-9-19(10-8-17)30-15-18-14-26-11-12-27-18/h3-14,16,29H,15H2,1-2H3