N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: 3-[(4-fluorophenyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O2S/c1-14-19(20(26)24(23(14)2)16-6-4-3-5-7-16)22-18(25)12-13-27-17-10-8-15(21)9-11-17/h3-11H,12-13H2,1-2H3,(H,22,25)