methyl 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetyl]oxymethyl]benzoate CAS Name: 4-[[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetyl]oxymethyl]benzoic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-15-21(16(2)24(23-15)19-7-5-4-6-8-19)29-14-20(25)28-13-17-9-11-18(12-10-17)22(26)27-3/h4-12H,13-14H2,1-3H3