5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-[2-(1H-indazol-5-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-5-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-5-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-5-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-5-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-5-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=CC4=C(C=C3)NN=C4)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC4=C(C=C3)NN=C4)C(C)C)O

InChI

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