methyl 2-[3-dibenzothiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanoate

Systemtic Name: methyl 2-[3-dibenzothiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanoate Openeye Name: methyl 2-[3-dibenzothiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetate CAS Name: 2-[3-(2-dibenzothiophenyl)-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-dibenzothiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetate Traditional Name: 2-[3-dibenzothiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid methyl ester Formula: C25H17F3N2O2S MolecularWeight: 466.47489

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CN(N=C1C2=CC3=C(C=C2)SC4=CC=CC=C43)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

COC(=O)CC1=CN(N=C1C2=CC3=C(C=C2)SC4=CC=CC=C43)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C25H17F3N2O2S/c1-32-23(31)12-16-14-30(18-6-4-5-17(13-18)25(26,27)28)29-24(16)15-9-10-22-20(11-15)19-7-2-3-8-21(19)33-22/h2-11,13-14H,12H2,1H3