5-[4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pent-4-yn-1-ol

Systemtic Name: 5-[4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pent-4-yn-1-ol Openeye Name: 5-[4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pent-4-yn-1-ol CAS Name: 5-[4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4-pyrazolyl]phenyl]-4-pentyn-1-ol IUPAC Name: 5-[4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pent-4-yn-1-ol Traditional Name: 5-[4-[1-(4-mesylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pent-4-yn-1-ol Formula: C22H19F3N2O3S MolecularWeight: 448.45807

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C=C(C(=N2)C(F)(F)F)C3=CC=C(C=C3)C#CCCCO

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=C(C(=N2)C(F)(F)F)C3=CC=C(C=C3)C#CCCCO

InChI

InChI=1S/C22H19F3N2O3S/c1-31(29,30)19-12-10-18(11-13-19)27-15-20(21(26-27)22(23,24)25)17-8-6-16(7-9-17)5-3-2-4-14-28/h6-13,15,28H,2,4,14H2,1H3