2-[7-chloranyl-4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)ethanamide Openeye Name: 2-[7-chloro-3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]-N,N-bis(2-cyanoethyl)acetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide Traditional Name: 2-[(7-chloro-4-keto-3-o-cumenyl-quinazolin-2-yl)thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C25H24ClN5O2S MolecularWeight: 494.00836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C25H24ClN5O2S/c1-17(2)19-7-3-4-8-22(19)31-24(33)20-10-9-18(26)15-21(20)29-25(31)34-16-23(32)30(13-5-11-27)14-6-12-28/h3-4,7-10,15,17H,5-6,13-14,16H2,1-2H3