N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C17H15F3N4OS MolecularWeight: 380.38741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H15F3N4OS/c1-16(9-21,10-6-7-10)24-13(25)8-26-14-11-4-2-3-5-12(11)22-15(23-14)17(18,19)20/h2-5,10H,6-8H2,1H3,(H,24,25)/t16-/m0/s1