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

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-propan-2-yl-2-[2-(1H-pyrazol-5-yl)ethyl]-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-isopropyl-2-[2-(1H-pyrazol-5-yl)ethyl]-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-propan-2-yl-2-[2-(1H-pyrazol-5-yl)ethyl]-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-propan-2-yl-2-[2-(1H-pyrazol-5-yl)ethyl]-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-isopropyl-2-[2-(1H-pyrazol-5-yl)ethyl]-3H-pyran-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(CC2=O)(CCC3=CC=NN3)C(C)C)O)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=NN3)C(C)C)O)C(C)(C)C)N

InChI

InChI=1S/C24H33N3O3S/c1-14(2)24(9-7-16-8-10-26-27-16)13-19(28)21(22(29)30-24)31-20-11-15(3)18(25)12-17(20)23(4,5)6/h8,10-12,14,29H,7,9,13,25H2,1-6H3,(H,26,27)