2-tert-butyl-4-[2-methyl-4-methylsulfonyl-3-(2-prop-2-enoxyphenyl)phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-4-[2-methyl-4-methylsulfonyl-3-(2-prop-2-enoxyphenyl)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 4-[3-(2-allyloxyphenyl)-2-methyl-4-methylsulfonyl-benzoyl]-2-tert-butyl-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[[2-methyl-4-methylsulfonyl-3-(2-prop-2-enoxyphenyl)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[2-methyl-4-methylsulfonyl-3-(2-prop-2-enoxyphenyl)benzoyl]-1H-pyrazol-3-one Traditional Name: 4-[3-(2-allyloxyphenyl)-4-mesyl-2-methyl-benzoyl]-2-tert-butyl-3-pyrazolin-3-one Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=CC=CC=C2OCC=C)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C2=CC=CC=C2OCC=C)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C(C)(C)C

InChI

InChI=1S/C25H28N2O5S/c1-7-14-32-20-11-9-8-10-18(20)22-16(2)17(12-13-21(22)33(6,30)31)23(28)19-15-26-27(24(19)29)25(3,4)5/h7-13,15,26H,1,14H2,2-6H3