N,N-bis(2-cyanoethyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C17H14F3N5OS MolecularWeight: 393.38617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N5OS/c18-17(19,20)16-23-13-6-2-1-5-12(13)15(24-16)27-11-14(26)25(9-3-7-21)10-4-8-22/h1-2,5-6H,3-4,9-11H2