(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-chloranyl-6-fluoranyl-benzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C23H16ClFN2O2S MolecularWeight: 438.901743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=C(C=CC=C3Cl)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=C(C=CC=C3Cl)F)C4=CC=CC=C4

InChI

InChI=1S/C23H16ClFN2O2S/c1-15-21(30-17-11-6-3-7-12-17)22(27(26-15)16-9-4-2-5-10-16)29-23(28)20-18(24)13-8-14-19(20)25/h2-14H,1H3