4-(3-fluoranyl-4-methoxy-phenyl)-3-methyl-4-(3-methylsulfonylphenyl)-2-(phenylmethyl)-3H-pyrazole

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-3-methyl-4-(3-methylsulfonylphenyl)-2-(phenylmethyl)-3H-pyrazole Openeye Name: 2-benzyl-4-(3-fluoro-4-methoxy-phenyl)-3-methyl-4-(3-methylsulfonylphenyl)-3H-pyrazole CAS Name: 4-(3-fluoro-4-methoxyphenyl)-3-methyl-4-(3-methylsulfonylphenyl)-2-(phenylmethyl)-3H-pyrazole IUPAC Name: 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4-(3-methylsulfonylphenyl)-3H-pyrazole Traditional Name: 1-benzyl-4-(3-fluoro-4-methoxy-phenyl)-4-(3-mesylphenyl)-5-methyl-2-pyrazoline Formula: C25H25FN2O3S MolecularWeight: 452.541003

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C=NN1CC2=CC=CC=C2)(C3=CC(=CC=C3)S(=O)(=O)C)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1C(C=NN1CC2=CC=CC=C2)(C3=CC(=CC=C3)S(=O)(=O)C)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C25H25FN2O3S/c1-18-25(21-12-13-24(31-2)23(26)15-21,20-10-7-11-22(14-20)32(3,29)30)17-27-28(18)16-19-8-5-4-6-9-19/h4-15,17-18H,16H2,1-3H3