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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2,6-bis(fluoranyl)benzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C21H20F2N2O2S MolecularWeight: 402.457506

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20F2N2O2S/c1-13-18(28-14-9-6-5-7-10-14)19(25(24-13)21(2,3)4)27-20(26)17-15(22)11-8-12-16(17)23/h5-12H,1-4H3