5-(4-hex-1-ynylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

Systemtic Name: 5-(4-hex-1-ynylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Openeye Name: 5-(4-hex-1-ynylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole CAS Name: 5-(4-hex-1-ynylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole IUPAC Name: 5-(4-hex-1-ynylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Traditional Name: 5-(4-hex-1-ynylphenyl)-1-(4-mesylphenyl)-3-(trifluoromethyl)pyrazole Formula: C23H21F3N2O2S MolecularWeight: 446.48525

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CCCCC#CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C23H21F3N2O2S/c1-3-4-5-6-7-17-8-10-18(11-9-17)21-16-22(23(24,25)26)27-28(21)19-12-14-20(15-13-19)31(2,29)30/h8-16H,3-5H2,1-2H3