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

Systemtic Name: 2-[2-(3-azanyl-1H-indazol-4-yl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 2-[2-(3-amino-1H-indazol-4-yl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 2-[2-(3-amino-1H-indazol-4-yl)ethyl]-5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 2-[2-(3-amino-1H-indazol-4-yl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-propan-2-yl-3H-pyran-4-one Traditional Name: 2-[2-(3-amino-1H-indazol-4-yl)ethyl]-5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-isopropyl-3H-pyran-4-one Formula: C29H37N3O4S MolecularWeight: 523.68678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=C4C(=CC=C3)NN=C4N)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=C4C(=CC=C3)NN=C4N)C(C)C)O

InChI

InChI=1S/C29H37N3O4S/c1-16(2)29(11-10-18-8-7-9-21-24(18)26(30)32-31-21)14-22(34)25(27(35)36-29)37-23-12-17(3)19(15-33)13-20(23)28(4,5)6/h7-9,12-13,16,33,35H,10-11,14-15H2,1-6H3,(H3,30,31,32)