N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(3-fluoro-4-methoxyphenyl)methylthio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propanamide Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C22H24FN3O3S MolecularWeight: 429.507663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H24FN3O3S/c1-15-21(22(28)26(25(15)2)17-7-5-4-6-8-17)24-20(27)11-12-30-14-16-9-10-19(29-3)18(23)13-16/h4-10,13H,11-12,14H2,1-3H3,(H,24,27)