2-(3-methylbutyl)-6-oxidanyl-2-phenyl-5-[2-(2-pyridin-3-ylethyl)phenyl]sulfanyl-3H-pyran-4-one

Systemtic Name: 2-(3-methylbutyl)-6-oxidanyl-2-phenyl-5-[2-(2-pyridin-3-ylethyl)phenyl]sulfanyl-3H-pyran-4-one Openeye Name: 6-hydroxy-2-isopentyl-2-phenyl-5-[2-[2-(3-pyridyl)ethyl]phenyl]sulfanyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-(3-methylbutyl)-2-phenyl-5-[[2-[2-(3-pyridinyl)ethyl]phenyl]thio]-3H-pyran-4-one IUPAC Name: 6-hydroxy-2-(3-methylbutyl)-2-phenyl-5-[2-(2-pyridin-3-ylethyl)phenyl]sulfanyl-3H-pyran-4-one Traditional Name: 6-hydroxy-2-isoamyl-2-phenyl-5-[[2-[2-(3-pyridyl)ethyl]phenyl]thio]-3H-pyran-4-one Formula: C29H31NO3S MolecularWeight: 473.62634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CC(=O)C(=C(O1)O)SC2=CC=CC=C2CCC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCC1(CC(=O)C(=C(O1)O)SC2=CC=CC=C2CCC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H31NO3S/c1-21(2)16-17-29(24-11-4-3-5-12-24)19-25(31)27(28(32)33-29)34-26-13-7-6-10-23(26)15-14-22-9-8-18-30-20-22/h3-13,18,20-21,32H,14-17,19H2,1-2H3