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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2,6-bis(fluoranyl)benzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C23H16F2N2O2S MolecularWeight: 422.447146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=C(C=CC=C3F)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=C(C=CC=C3F)F)C4=CC=CC=C4

InChI

InChI=1S/C23H16F2N2O2S/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