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

Systemtic Name: 2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C21H19ClF3N3O2S MolecularWeight: 469.90767

Click to see the large picture

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)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClF3N3O2S/c1-12-18(20(30)28(27(12)3)14-7-5-4-6-8-14)26-19(29)13(2)31-15-9-10-17(22)16(11-15)21(23,24)25/h4-11,13H,1-3H3,(H,26,29)