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

Systemtic Name: (2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(2-fluorophenyl)sulfanyl-propanamide Openeye Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(2-fluorophenyl)sulfanyl-propanamide CAS Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(2-fluorophenyl)thio]propanamide IUPAC Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylpropanamide Traditional Name: (2S)-2-[(2-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)C(C)SC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)SC3=CC=CC=C3F

InChI

InChI=1S/C20H20FN3O2S/c1-13-18(20(26)24(23(13)3)15-9-5-4-6-10-15)22-19(25)14(2)27-17-12-8-7-11-16(17)21/h4-12,14H,1-3H3,(H,22,25)/t14-/m0/s1