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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-phenylbutanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-phenylbutanoate CAS Name: 2-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] 2-phenylbutanoate Traditional Name: 2-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:

CCC(C1=CC=CC=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O4S/c1-3-21(19-12-6-4-7-13-19)26(30)33-25-24(34-23-17-11-10-16-22(23)29(31)32)18(2)27-28(25)20-14-8-5-9-15-20/h4-17,21H,3H2,1-2H3