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

Systemtic Name: methyl 4-[4-(4-chlorophenyl)sulfanyl-1-pyridin-2-yl-pyrazol-3-yl]-2-fluoranyl-benzoate Openeye Name: methyl 4-[4-(4-chlorophenyl)sulfanyl-1-(2-pyridyl)pyrazol-3-yl]-2-fluoro-benzoate CAS Name: 4-[4-[(4-chlorophenyl)thio]-1-(2-pyridinyl)-3-pyrazolyl]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-chlorophenyl)sulfanyl-1-pyridin-2-ylpyrazol-3-yl]-2-fluorobenzoate Traditional Name: 4-[4-[(4-chlorophenyl)thio]-1-(2-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=CC=CC=N4)F

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C2=NN(C=C2SC3=CC=C(C=C3)Cl)C4=CC=CC=N4)F

InChI

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