1-[1-ethyl-5-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-3-yl]oxy-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[1-ethyl-5-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-3-yl]oxy-3,3-dimethyl-butan-2-one Openeye Name: 1-[1-ethyl-5-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-3-yl]oxy-3,3-dimethyl-butan-2-one CAS Name: 1-[[1-ethyl-5-(4-methylsulfonylphenyl)-4-phenyl-3-pyrazolyl]oxy]-3,3-dimethyl-2-butanone IUPAC Name: 1-[1-ethyl-5-(4-methylsulfonylphenyl)-4-phenylpyrazol-3-yl]oxy-3,3-dimethylbutan-2-one Traditional Name: 1-[1-ethyl-5-(4-mesylphenyl)-4-phenyl-pyrazol-3-yl]oxy-3,3-dimethyl-butan-2-one Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)OCC(=O)C(C)(C)C)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN1C(=C(C(=N1)OCC(=O)C(C)(C)C)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H28N2O4S/c1-6-26-22(18-12-14-19(15-13-18)31(5,28)29)21(17-10-8-7-9-11-17)23(25-26)30-16-20(27)24(2,3)4/h7-15H,6,16H2,1-5H3