N-(2,6-dimethylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(2,6-dimethylphenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionamide Formula: C20H18F3N3OS MolecularWeight: 405.43663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C20H18F3N3OS/c1-11-7-6-8-12(2)16(11)25-17(27)13(3)28-18-14-9-4-5-10-15(14)24-19(26-18)20(21,22)23/h4-10,13H,1-3H3,(H,25,27)