2-[2-(3-azanyl-1H-indazol-5-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-5-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-5-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-5-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-5-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-5-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

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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=C4N)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=C4N)C(C)C)O

InChI

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