N-(2-cyanoethyl)-N-phenyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionamide Formula: C21H17F3N4OS MolecularWeight: 430.44609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C21H17F3N4OS/c1-14(19(29)28(13-7-12-25)15-8-3-2-4-9-15)30-18-16-10-5-6-11-17(16)26-20(27-18)21(22,23)24/h2-6,8-11,14H,7,13H2,1H3