[2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic 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-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C21H19Cl2FN2O2S MolecularWeight: 453.357163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2FN2O2S/c1-12-18(29-14-10-8-13(22)9-11-14)19(26(25-12)21(2,3)4)28-20(27)17-15(23)6-5-7-16(17)24/h5-11H,1-4H3