3-[bis(fluoranyl)-(3-phenylmethoxypropoxy)methyl]-5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole

Systemtic Name: 3-[bis(fluoranyl)-(3-phenylmethoxypropoxy)methyl]-5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole Openeye Name: 3-[3-benzyloxypropoxy(difluoro)methyl]-5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole CAS Name: 3-[difluoro(3-phenylmethoxypropoxy)methyl]-5-(4-methylsulfonylphenyl)-1-phenylpyrazole IUPAC Name: 3-[difluoro(3-phenylmethoxypropoxy)methyl]-5-(4-methylsulfonylphenyl)-1-phenylpyrazole Traditional Name: 3-[3-benzoxypropoxy(difluoro)methyl]-5-(4-mesylphenyl)-1-phenyl-pyrazole Formula: C27H26F2N2O4S MolecularWeight: 512.568146

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(OCCCOCC4=CC=CC=C4)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(OCCCOCC4=CC=CC=C4)(F)F

InChI

InChI=1S/C27H26F2N2O4S/c1-36(32,33)24-15-13-22(14-16-24)25-19-26(30-31(25)23-11-6-3-7-12-23)27(28,29)35-18-8-17-34-20-21-9-4-2-5-10-21/h2-7,9-16,19H,8,17-18,20H2,1H3