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

Systemtic Name: [5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]methyl 3-(trifluoromethyl)benzoate Openeye Name: [5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]methyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [5-[(4-chlorophenyl)thio]-1-methyl-3-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [5-[(4-chlorophenyl)thio]-1-methyl-3-phenyl-pyrazol-4-yl]methyl ester Formula: C25H18ClF3N2O2S MolecularWeight: 502.93583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18ClF3N2O2S/c1-31-23(34-20-12-10-19(26)11-13-20)21(22(30-31)16-6-3-2-4-7-16)15-33-24(32)17-8-5-9-18(14-17)25(27,28)29/h2-14H,15H2,1H3