3-[3-methylsulfanyl-2-(4-methylsulfonylphenyl)-6-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propan-1-ol

Systemtic Name: 3-[3-methylsulfanyl-2-(4-methylsulfonylphenyl)-6-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propan-1-ol Openeye Name: 3-[3-methylsulfanyl-2-(4-methylsulfonylphenyl)-6-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propan-1-ol CAS Name: 3-[2-(4-methylsulfonylphenyl)-3-(methylthio)-6-[5-(trifluoromethyl)-1-pyrazolyl]phenyl]-1-propanol IUPAC Name: 3-[3-methylsulfanyl-2-(4-methylsulfonylphenyl)-6-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propan-1-ol Traditional Name: 3-[2-(4-mesylphenyl)-3-(methylthio)-6-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propan-1-ol Formula: C21H21F3N2O3S2 MolecularWeight: 470.52825

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C=C1)N2C(=CC=N2)C(F)(F)F)CCCO)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSC1=C(C(=C(C=C1)N2C(=CC=N2)C(F)(F)F)CCCO)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H21F3N2O3S2/c1-30-18-10-9-17(26-19(11-12-25-26)21(22,23)24)16(4-3-13-27)20(18)14-5-7-15(8-6-14)31(2,28)29/h5-12,27H,3-4,13H2,1-2H3