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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C28H24ClN3O4S MolecularWeight: 534.02586

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H24ClN3O4S/c1-19-25(37-24-12-6-5-11-23(24)32(34)35)26(31(30-19)22-9-3-2-4-10-22)36-27(33)28(17-7-8-18-28)20-13-15-21(29)16-14-20/h2-6,9-16H,7-8,17-18H2,1H3