N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[2-(4-ethoxyphenoxy)ethylthio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide Traditional Name: 2-[2-(4-ethoxyphenoxy)ethylthio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C23H27N3O4S/c1-4-29-19-10-12-20(13-11-19)30-14-15-31-16-21(27)24-22-17(2)25(3)26(23(22)28)18-8-6-5-7-9-18/h5-13H,4,14-16H2,1-3H3,(H,24,27)