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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C(=O)OC=C2)C3=CC=C(C=C3)OCC4=NC=CN=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C(=O)OC=C2)C3=CC=C(C=C3)OCC4=NC=CN=C4

InChI

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