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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(3-fluoro-4-methoxyphenyl)methylthio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]acetamide Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H22FN3O3S/c1-14-20(21(27)25(24(14)2)16-7-5-4-6-8-16)23-19(26)13-29-12-15-9-10-18(28-3)17(22)11-15/h4-11H,12-13H2,1-3H3,(H,23,26)