2-phenethyl-2-phenyl-5-(3-propan-2-ylpyridin-4-yl)sulfanyl-3H-pyran-6-one

Systemtic Name: 2-phenethyl-2-phenyl-5-(3-propan-2-ylpyridin-4-yl)sulfanyl-3H-pyran-6-one Openeye Name: 5-[(3-isopropyl-4-pyridyl)sulfanyl]-2-phenethyl-2-phenyl-3H-pyran-6-one CAS Name: 2-phenethyl-2-phenyl-5-[(3-propan-2-yl-4-pyridinyl)thio]-3H-pyran-6-one IUPAC Name: 2-phenethyl-2-phenyl-5-(3-propan-2-ylpyridin-4-yl)sulfanyl-3H-pyran-6-one Traditional Name: 5-[(3-isopropyl-4-pyridyl)thio]-2-phenethyl-2-phenyl-3H-pyran-6-one Formula: C27H27NO2S MolecularWeight: 429.57378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CN=C1)SC2=CCC(OC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=C(C=CN=C1)SC2=CCC(OC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO2S/c1-20(2)23-19-28-18-15-24(23)31-25-14-17-27(30-26(25)29,22-11-7-4-8-12-22)16-13-21-9-5-3-6-10-21/h3-12,14-15,18-20H,13,16-17H2,1-2H3