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

Systemtic Name: methyl 4-[4-(4-chlorophenyl)sulfanyl-1-(5-fluoranylpyridin-3-yl)pyrazol-3-yl]benzoate Openeye Name: methyl 4-[4-(4-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridyl)pyrazol-3-yl]benzoate CAS Name: 4-[4-[(4-chlorophenyl)thio]-1-(5-fluoro-3-pyridinyl)-3-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-chlorophenyl)sulfanyl-1-(5-fluoropyridin-3-yl)pyrazol-3-yl]benzoate Traditional Name: 4-[4-[(4-chlorophenyl)thio]-1-(5-fluoro-3-pyridyl)pyrazol-3-yl]benzoic acid methyl ester Formula: C22H15ClFN3O2S MolecularWeight: 439.889803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN(C=C2SC3=CC=C(C=C3)Cl)C4=CC(=CN=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN(C=C2SC3=CC=C(C=C3)Cl)C4=CC(=CN=C4)F

InChI

InChI=1S/C22H15ClFN3O2S/c1-29-22(28)15-4-2-14(3-5-15)21-20(30-19-8-6-16(23)7-9-19)13-27(26-21)18-10-17(24)11-25-12-18/h2-13H,1H3