3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-[1-(phenylmethyl)cyclobutyl]pyran-2-one

Systemtic Name: 3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-[1-(phenylmethyl)cyclobutyl]pyran-2-one Openeye Name: 6-(1-benzylcyclobutyl)-3-(2-isopropyl-5-methyl-phenyl)sulfanyl-pyran-2-one CAS Name: 3-[(5-methyl-2-propan-2-ylphenyl)thio]-6-[1-(phenylmethyl)cyclobutyl]-2-pyranone IUPAC Name: 6-(1-benzylcyclobutyl)-3-(5-methyl-2-propan-2-ylphenyl)sulfanylpyran-2-one Traditional Name: 6-(1-benzylcyclobutyl)-3-[(2-isopropyl-5-methyl-phenyl)thio]pyran-2-one Formula: C26H28O2S MolecularWeight: 404.56432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)SC2=CC=C(OC2=O)C3(CCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2=CC=C(OC2=O)C3(CCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28O2S/c1-18(2)21-11-10-19(3)16-23(21)29-22-12-13-24(28-25(22)27)26(14-7-15-26)17-20-8-5-4-6-9-20/h4-6,8-13,16,18H,7,14-15,17H2,1-3H3