4-(3-fluoranyl-4-methyl-phenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-pyrazole

Systemtic Name: 4-(3-fluoranyl-4-methyl-phenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-pyrazole Openeye Name: 4-(3-fluoro-4-methyl-phenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-pyrazole CAS Name: 4-(3-fluoro-4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynylpyrazole IUPAC Name: 4-(3-fluoro-4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynylpyrazole Traditional Name: 4-(3-fluoro-4-methyl-phenyl)-3-(4-mesylphenyl)-1-propargyl-pyrazole Formula: C20H17FN2O2S MolecularWeight: 368.424583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#C)F

InChI

InChI=1S/C20H17FN2O2S/c1-4-11-23-13-18(16-6-5-14(2)19(21)12-16)20(22-23)15-7-9-17(10-8-15)26(3,24)25/h1,5-10,12-13H,11H2,2-3H3