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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)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=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

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