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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[2-(4-propoxyphenoxy)ethylthio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[2-(4-propoxyphenoxy)ethylthio]propionamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCSCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCSCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C25H31N3O4S/c1-4-15-31-21-10-12-22(13-11-21)32-16-18-33-17-14-23(29)26-24-19(2)27(3)28(25(24)30)20-8-6-5-7-9-20/h5-13H,4,14-18H2,1-3H3,(H,26,29)