4-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

Systemtic Name: 4-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Openeye Name: 4-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole CAS Name: 4-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole IUPAC Name: 4-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Traditional Name: 1-(4-mesylphenyl)-4-[4-(3-methoxyprop-1-ynyl)phenyl]-3-(trifluoromethyl)pyrazole Formula: C21H17F3N2O3S MolecularWeight: 434.43149

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC1=CC=C(C=C1)C2=CN(N=C2C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COCC#CC1=CC=C(C=C1)C2=CN(N=C2C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H17F3N2O3S/c1-29-13-3-4-15-5-7-16(8-6-15)19-14-26(25-20(19)21(22,23)24)17-9-11-18(12-10-17)30(2,27)28/h5-12,14H,13H2,1-2H3