6-(1-phenethylcyclobutyl)-3-(2-propan-2-ylphenyl)sulfanyl-pyran-2-one

Systemtic Name: 6-(1-phenethylcyclobutyl)-3-(2-propan-2-ylphenyl)sulfanyl-pyran-2-one Openeye Name: 3-(2-isopropylphenyl)sulfanyl-6-(1-phenethylcyclobutyl)pyran-2-one CAS Name: 6-(1-phenethylcyclobutyl)-3-[(2-propan-2-ylphenyl)thio]-2-pyranone IUPAC Name: 6-(1-phenethylcyclobutyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one Traditional Name: 3-(o-cumenylthio)-6-(1-phenethylcyclobutyl)pyran-2-one Formula: C26H28O2S MolecularWeight: 404.56432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=CC=C(OC2=O)C3(CCC3)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=CC=C(OC2=O)C3(CCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H28O2S/c1-19(2)21-11-6-7-12-22(21)29-23-13-14-24(28-25(23)27)26(16-8-17-26)18-15-20-9-4-3-5-10-20/h3-7,9-14,19H,8,15-18H2,1-2H3