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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3-cyclopentylpropanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CCC3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CCC3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4S/c1-17-23(32-21-14-8-7-13-20(21)27(29)30)24(26(25-17)19-11-3-2-4-12-19)31-22(28)16-15-18-9-5-6-10-18/h2-4,7-8,11-14,18H,5-6,9-10,15-16H2,1H3