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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-phenylbutanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O4S/c1-19-25(34-23-17-9-8-16-22(23)29(31)32)26(28(27-19)21-14-6-3-7-15-21)33-24(30)18-10-13-20-11-4-2-5-12-20/h2-9,11-12,14-17H,10,13,18H2,1H3