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

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 2-(3-chloro-4-fluoro-phenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 2-[(3-chloro-4-fluorophenyl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C20H19ClFN3O2S MolecularWeight: 419.900163

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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(=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H19ClFN3O2S/c1-12-18(20(27)25(24(12)3)14-7-5-4-6-8-14)23-19(26)13(2)28-15-9-10-17(22)16(21)11-15/h4-11,13H,1-3H3,(H,23,26)