4-(3-methylbutyl)-6-phenyl-3-phenylsulfanyl-pyran-2-one

Systemtic Name: 4-(3-methylbutyl)-6-phenyl-3-phenylsulfanyl-pyran-2-one Openeye Name: 4-isopentyl-6-phenyl-3-phenylsulfanyl-pyran-2-one CAS Name: 4-(3-methylbutyl)-6-phenyl-3-(phenylthio)-2-pyranone IUPAC Name: 4-(3-methylbutyl)-6-phenyl-3-phenylsulfanylpyran-2-one Traditional Name: 4-isoamyl-6-phenyl-3-(phenylthio)pyran-2-one Formula: C22H22O2S MolecularWeight: 350.47388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C(=O)OC(=C1)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1=C(C(=O)OC(=C1)C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H22O2S/c1-16(2)13-14-18-15-20(17-9-5-3-6-10-17)24-22(23)21(18)25-19-11-7-4-8-12-19/h3-12,15-16H,13-14H2,1-2H3