2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[[2-(4-bromophenyl)-4-quinazolinyl]thio]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[[2-(4-bromophenyl)quinazolin-4-yl]thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C20H17BrN4OS MolecularWeight: 441.34418

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN4OS/c1-25(12-4-11-22)18(26)13-27-20-16-5-2-3-6-17(16)23-19(24-20)14-7-9-15(21)10-8-14/h2-3,5-10H,4,12-13H2,1H3