6-methyl-3-(2-thiophen-2-ylpyrrolidin-1-yl)carbonyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one

Systemtic Name: 6-methyl-3-(2-thiophen-2-ylpyrrolidin-1-yl)carbonyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 6-methyl-3-[2-(2-thienyl)pyrrolidine-1-carbonyl]-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 6-methyl-3-[oxo-(2-thiophen-2-yl-1-pyrrolidinyl)methyl]-1-[2-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 6-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 6-methyl-3-[2-(2-thienyl)pyrrolidine-1-carbonyl]-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C21H18F3N3O2S MolecularWeight: 433.44673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)N3CCCC3C4=CC=CS4

InChI

InChI=1S/C21H18F3N3O2S/c1-13-12-17(28)19(20(29)26-10-4-8-16(26)18-9-5-11-30-18)25-27(13)15-7-3-2-6-14(15)21(22,23)24/h2-3,5-7,9,11-12,16H,4,8,10H2,1H3