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

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-propan-2-yl-3-[2-(1H-pyrazol-5-yl)ethyl]-2,3-dihydropyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-isopropyl-3-[2-(1H-pyrazol-5-yl)ethyl]-2,3-dihydropyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-propan-2-yl-3-[2-(1H-pyrazol-5-yl)ethyl]-2,3-dihydropyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-propan-2-yl-3-[2-(1H-pyrazol-5-yl)ethyl]-2,3-dihydropyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-isopropyl-3-[2-(1H-pyrazol-5-yl)ethyl]-2,3-dihydropyran-4-one Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(C(C2=O)CCC3=CC=NN3)C(C)C)O)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(C(C2=O)CCC3=CC=NN3)C(C)C)O)C(C)(C)C)N

InChI

InChI=1S/C24H33N3O3S/c1-13(2)21-16(8-7-15-9-10-26-27-15)20(28)22(23(29)30-21)31-19-11-14(3)18(25)12-17(19)24(4,5)6/h9-13,16,21,29H,7-8,25H2,1-6H3,(H,26,27)