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

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-(3,4-difluorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 3-[(3,4-difluorophenyl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 3-(3,4-difluorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 3-[(3,4-difluorophenyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C20H19F2N3O2S MolecularWeight: 403.445566

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C20H19F2N3O2S/c1-13-19(20(27)25(24(13)2)14-6-4-3-5-7-14)23-18(26)10-11-28-15-8-9-16(21)17(22)12-15/h3-9,12H,10-11H2,1-2H3,(H,23,26)