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

Systemtic Name: 3-(2-propan-2-ylphenyl)sulfanyl-4-[2-(pyrazin-2-ylmethoxy)phenyl]pyran-2-one Openeye Name: 3-(2-isopropylphenyl)sulfanyl-4-[2-(pyrazin-2-ylmethoxy)phenyl]pyran-2-one CAS Name: 3-[(2-propan-2-ylphenyl)thio]-4-[2-(2-pyrazinylmethoxy)phenyl]-2-pyranone IUPAC Name: 3-(2-propan-2-ylphenyl)sulfanyl-4-[2-(pyrazin-2-ylmethoxy)phenyl]pyran-2-one Traditional Name: 3-(o-cumenylthio)-4-[2-(pyrazin-2-ylmethoxy)phenyl]pyran-2-one Formula: C25H22N2O3S MolecularWeight: 430.51878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=COC2=O)C3=CC=CC=C3OCC4=NC=CN=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=COC2=O)C3=CC=CC=C3OCC4=NC=CN=C4

InChI

InChI=1S/C25H22N2O3S/c1-17(2)19-7-4-6-10-23(19)31-24-21(11-14-29-25(24)28)20-8-3-5-9-22(20)30-16-18-15-26-12-13-27-18/h3-15,17H,16H2,1-2H3