2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide 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)CSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H19ClFN3O2S/c1-13-19(20(27)25(24(13)2)14-7-4-3-5-8-14)23-18(26)12-28-11-15-16(21)9-6-10-17(15)22/h3-10H,11-12H2,1-2H3,(H,23,26)