5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-[2-(1H-indazol-4-yl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-[2-(1H-indazol-4-yl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-[2-(1H-indazol-4-yl)ethyl]-2-isopropyl-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-[2-(1H-indazol-4-yl)ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-[2-(1H-indazol-4-yl)ethyl]-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-[2-(1H-indazol-4-yl)ethyl]-2-isopropyl-3H-pyran-4-one Formula: C29H36N2O4S MolecularWeight: 508.67214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=C4C=NNC4=CC=C3)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=C4C=NNC4=CC=C3)C(C)C)O

InChI

InChI=1S/C29H36N2O4S/c1-17(2)29(11-10-19-8-7-9-23-21(19)15-30-31-23)14-24(33)26(27(34)35-29)36-25-12-18(3)20(16-32)13-22(25)28(4,5)6/h7-9,12-13,15,17,32,34H,10-11,14,16H2,1-6H3,(H,30,31)