(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 1-(4-chlorophenyl)cyclopentane-1-carboxylate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C26H29ClN2O2S MolecularWeight: 469.03866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl)C(C)(C)C

InChI

InChI=1S/C26H29ClN2O2S/c1-18-22(32-21-10-6-5-7-11-21)23(29(28-18)25(2,3)4)31-24(30)26(16-8-9-17-26)19-12-14-20(27)15-13-19/h5-7,10-15H,8-9,16-17H2,1-4H3