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

Systemtic Name: 2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)ethanamide Openeye Name: 2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide CAS Name: 2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N,N-bis(2-cyanoethyl)acetamide IUPAC Name: 2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide Traditional Name: 2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C22H18ClN5O2S MolecularWeight: 451.92862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN5O2S/c23-16-6-3-7-17(14-16)28-21(30)18-8-1-2-9-19(18)26-22(28)31-15-20(29)27(12-4-10-24)13-5-11-25/h1-3,6-9,14H,4-5,12-13,15H2