[5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] propanoate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] propanoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] propanoate CAS Name: propanoic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] propanoate Traditional Name: propionic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2S/c1-4-18(23)24-20-19(25-17-12-10-14(2)11-13-17)15(3)21-22(20)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3