(2R)-N-(3-cyanophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2R)-N-(3-cyanophenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionamide Formula: C19H13F3N4OS MolecularWeight: 402.39293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H13F3N4OS/c1-11(16(27)24-13-6-4-5-12(9-13)10-23)28-17-14-7-2-3-8-15(14)25-18(26-17)19(20,21)22/h2-9,11H,1H3,(H,24,27)/t11-/m1/s1