[5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] cyclopentanecarboxylate

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] cyclopentanecarboxylate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] cyclopentanecarboxylate CAS Name: 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] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4S/c1-15-20(30-19-14-8-7-13-18(19)25(27)28)21(29-22(26)16-9-5-6-10-16)24(23-15)17-11-3-2-4-12-17/h2-4,7-8,11-14,16H,5-6,9-10H2,1H3