(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: (1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid (1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl ester Formula: C21H14ClFN2O2S MolecularWeight: 412.864463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)COC(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)COC(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H14ClFN2O2S/c22-16-8-4-9-17(23)19(16)21(26)27-13-14-12-25(15-6-2-1-3-7-15)24-20(14)18-10-5-11-28-18/h1-12H,13H2