methyl 4-[4-(4-chlorophenyl)sulfanyl-1-pyridin-3-yl-pyrazol-3-yl]-2-fluoranyl-benzoate

Systemtic Name: methyl 4-[4-(4-chlorophenyl)sulfanyl-1-pyridin-3-yl-pyrazol-3-yl]-2-fluoranyl-benzoate Openeye Name: methyl 4-[4-(4-chlorophenyl)sulfanyl-1-(3-pyridyl)pyrazol-3-yl]-2-fluoro-benzoate CAS Name: 4-[4-[(4-chlorophenyl)thio]-1-(3-pyridinyl)-3-pyrazolyl]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyrazol-3-yl]-2-fluorobenzoate Traditional Name: 4-[4-[(4-chlorophenyl)thio]-1-(3-pyridyl)pyrazol-3-yl]-2-fluoro-benzoic acid methyl ester Formula: C22H15ClFN3O2S MolecularWeight: 439.889803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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