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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 2-ethylbutanoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O2S/c1-4-16(5-2)22(26)27-21-20(28-19-13-11-17(23)12-14-19)15(3)24-25(21)18-9-7-6-8-10-18/h6-14,16H,4-5H2,1-3H3