[2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-(4-fluorophenyl)ethanoate

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-(4-fluorophenyl)ethanoate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-(4-fluorophenyl)acetate CAS Name: 2-(4-fluorophenyl)acetic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methylpyrazol-3-yl] 2-(4-fluorophenyl)acetate Traditional Name: 2-(4-fluorophenyl)acetic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C22H22ClFN2O2S MolecularWeight: 432.938683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN2O2S/c1-14-20(29-18-11-7-16(23)8-12-18)21(26(25-14)22(2,3)4)28-19(27)13-15-5-9-17(24)10-6-15/h5-12H,13H2,1-4H3