[2,6-dimethoxy-4-[[3-(3-methoxyphenyl)-5-sulfanylidene-1,4-dihydropyrazol-4-yl]iminomethyl]phenyl] ethanoate

Systemtic Name: [2,6-dimethoxy-4-[[3-(3-methoxyphenyl)-5-sulfanylidene-1,4-dihydropyrazol-4-yl]iminomethyl]phenyl] ethanoate Openeye Name: [2,6-dimethoxy-4-[[3-(3-methoxyphenyl)-5-thioxo-1,4-dihydropyrazol-4-yl]iminomethyl]phenyl] acetate CAS Name: acetic acid [2,6-dimethoxy-4-[[3-(3-methoxyphenyl)-5-sulfanylidene-1,4-dihydropyrazol-4-yl]iminomethyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-[[3-(3-methoxyphenyl)-5-sulfanylidene-1,4-dihydropyrazol-4-yl]iminomethyl]phenyl] acetate Traditional Name: acetic acid [2,6-dimethoxy-4-[[3-(3-methoxyphenyl)-5-thioxo-2-pyrazolin-4-yl]iminomethyl]phenyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C=NC2C(=NNC2=S)C3=CC(=CC=C3)OC)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)C=NC2C(=NNC2=S)C3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C21H21N3O5S/c1-12(25)29-20-16(27-3)8-13(9-17(20)28-4)11-22-19-18(23-24-21(19)30)14-6-5-7-15(10-14)26-2/h5-11,19H,1-4H3,(H,24,30)