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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(2-fluorophenyl)methylsulfanyl]propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(2-fluorophenyl)methylsulfanyl]propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(2-fluorophenyl)methylthio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(2-fluorophenyl)methylsulfanyl]propanamide Traditional Name: 3-[(2-fluorobenzyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSCC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSCC3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O2S/c1-15-20(21(27)25(24(15)2)17-9-4-3-5-10-17)23-19(26)12-13-28-14-16-8-6-7-11-18(16)22/h3-11H,12-14H2,1-2H3,(H,23,26)