N-(cyanomethyl)-N-phenyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(cyanomethyl)-N-phenyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(cyanomethyl)-N-phenyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(cyanomethyl)-N-phenyl-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(cyanomethyl)-N-phenyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(cyanomethyl)-N-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C19H13F3N4OS MolecularWeight: 402.39293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H13F3N4OS/c20-19(21,22)18-24-15-9-5-4-8-14(15)17(25-18)28-12-16(27)26(11-10-23)13-6-2-1-3-7-13/h1-9H,11-12H2