(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-ethylbutanoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-ethylbutanoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C22H24N2O2S MolecularWeight: 380.50316

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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

Isomeric SMILES

CCC(CC)C(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O2S/c1-4-17(5-2)22(25)26-21-20(27-19-14-10-7-11-15-19)16(3)23-24(21)18-12-8-6-9-13-18/h6-15,17H,4-5H2,1-3H3