(2R)-N-(1-cyanocyclohexyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionamide Formula: C19H19F3N4OS MolecularWeight: 408.44057

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H19F3N4OS/c1-12(15(27)26-18(11-23)9-5-2-6-10-18)28-16-13-7-3-4-8-14(13)24-17(25-16)19(20,21)22/h3-4,7-8,12H,2,5-6,9-10H2,1H3,(H,26,27)/t12-/m1/s1