3-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-ol

Systemtic Name: 3-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-ol Openeye Name: 3-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-ol CAS Name: 3-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1-pyrazolyl]-1-propanol IUPAC Name: 3-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-ol Traditional Name: 3-[3-(4-mesylphenyl)-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-ol Formula: C21H21F3N2O4S MolecularWeight: 454.46265

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CCCO)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CCCO)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O4S/c1-30-16-8-4-14(5-9-16)18-19(15-6-10-17(11-7-15)31(2,28)29)25-26(12-3-13-27)20(18)21(22,23)24/h4-11,27H,3,12-13H2,1-2H3