2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)ethanamide

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)ethanamide Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N,N-bis(2-cyanoethyl)acetamide IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide Traditional Name: 2-[[3-(2-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C23H20ClN5O2S MolecularWeight: 465.9552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CCC#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CCC#N)Cl

InChI

InChI=1S/C23H20ClN5O2S/c24-19-9-3-1-7-17(19)15-29-22(31)18-8-2-4-10-20(18)27-23(29)32-16-21(30)28(13-5-11-25)14-6-12-26/h1-4,7-10H,5-6,13-16H2