[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-pyrazol-4-yl]methyl 4-fluoranylbenzoate

Systemtic Name: [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-pyrazol-4-yl]methyl 4-fluoranylbenzoate Openeye Name: [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-pyrazol-4-yl]methyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [1-methyl-3-phenyl-5-[[3-(trifluoromethyl)phenyl]thio]-4-pyrazolyl]methyl ester IUPAC Name: [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [1-methyl-3-phenyl-5-[[3-(trifluoromethyl)phenyl]thio]pyrazol-4-yl]methyl ester Formula: C25H18F4N2O2S MolecularWeight: 486.481233

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)F)SC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)F)SC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H18F4N2O2S/c1-31-23(34-20-9-5-8-18(14-20)25(27,28)29)21(22(30-31)16-6-3-2-4-7-16)15-33-24(32)17-10-12-19(26)13-11-17/h2-14H,15H2,1H3