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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-ethylbutanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic 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-ethylbutanoate Traditional Name: 2-ethylbutyric acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4S/c1-4-16(5-2)22(26)29-21-20(30-19-14-10-9-13-18(19)25(27)28)15(3)23-24(21)17-11-7-6-8-12-17/h6-14,16H,4-5H2,1-3H3