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

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-2-[2-(1H-pyrazol-5-yl)ethyl]-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-isopropyl-2-[2-(1H-pyrazol-5-yl)ethyl]-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-propan-2-yl-2-[2-(1H-pyrazol-5-yl)ethyl]-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-propan-2-yl-2-[2-(1H-pyrazol-5-yl)ethyl]-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-isopropyl-2-[2-(1H-pyrazol-5-yl)ethyl]-3H-pyran-4-one Formula: C25H34N2O4S MolecularWeight: 458.61346

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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=CC=NN3)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=NN3)C(C)C)O

InChI

InChI=1S/C25H34N2O4S/c1-15(2)25(9-7-18-8-10-26-27-18)13-20(29)22(23(30)31-25)32-21-11-16(3)17(14-28)12-19(21)24(4,5)6/h8,10-12,15,28,30H,7,9,13-14H2,1-6H3,(H,26,27)