(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(4-fluorophenyl)ethanoate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(4-fluorophenyl)ethanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(4-fluorophenyl)acetate CAS Name: 2-(4-fluorophenyl)acetic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 2-(4-fluorophenyl)acetate Traditional Name: 2-(4-fluorophenyl)acetic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C22H23FN2O2S MolecularWeight: 398.493623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CC3=CC=C(C=C3)F)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CC3=CC=C(C=C3)F)C(C)(C)C

InChI

InChI=1S/C22H23FN2O2S/c1-15-20(28-18-8-6-5-7-9-18)21(25(24-15)22(2,3)4)27-19(26)14-16-10-12-17(23)13-11-16/h5-13H,14H2,1-4H3