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

Systemtic Name: 3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-[1-(phenylmethyl)cyclopropyl]pyran-2-one Openeye Name: 6-(1-benzylcyclopropyl)-3-(2-isopropyl-5-methyl-phenyl)sulfanyl-pyran-2-one CAS Name: 3-[(5-methyl-2-propan-2-ylphenyl)thio]-6-[1-(phenylmethyl)cyclopropyl]-2-pyranone IUPAC Name: 6-(1-benzylcyclopropyl)-3-(5-methyl-2-propan-2-ylphenyl)sulfanylpyran-2-one Traditional Name: 6-(1-benzylcyclopropyl)-3-[(2-isopropyl-5-methyl-phenyl)thio]pyran-2-one Formula: C25H26O2S MolecularWeight: 390.53774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)SC2=CC=C(OC2=O)C3(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2=CC=C(OC2=O)C3(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26O2S/c1-17(2)20-10-9-18(3)15-22(20)28-21-11-12-23(27-24(21)26)25(13-14-25)16-19-7-5-4-6-8-19/h4-12,15,17H,13-14,16H2,1-3H3