[2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-3-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]pyrazol-3-yl] ester Formula: C26H28ClN3O4S MolecularWeight: 514.03622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl)C(C)(C)C

InChI

InChI=1S/C26H28ClN3O4S/c1-17-22(35-21-10-6-5-9-20(21)30(32)33)23(29(28-17)25(2,3)4)34-24(31)26(15-7-8-16-26)18-11-13-19(27)14-12-18/h5-6,9-14H,7-8,15-16H2,1-4H3