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

Systemtic Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N,N-bis(2-cyanoethyl)ethanamide Openeye Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide CAS Name: 2-[[2-(4-bromophenyl)-4-quinazolinyl]thio]-N,N-bis(2-cyanoethyl)acetamide IUPAC Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide Traditional Name: 2-[[2-(4-bromophenyl)quinazolin-4-yl]thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C22H18BrN5OS MolecularWeight: 480.38022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Br)SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Br)SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H18BrN5OS/c23-17-9-7-16(8-10-17)21-26-19-6-2-1-5-18(19)22(27-21)30-15-20(29)28(13-3-11-24)14-4-12-25/h1-2,5-10H,3-4,13-15H2