2-[7-chloranyl-4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropyl-ethyl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropyl-ethyl)ethanamide Openeye Name: 2-[7-chloro-3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropyl-ethyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]-N-(1-cyano-1-cyclopropylethyl)acetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropylethyl)acetamide Traditional Name: 2-[(7-chloro-4-keto-3-o-cumenyl-quinazolin-2-yl)thio]-N-(1-cyano-1-cyclopropyl-ethyl)acetamide Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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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)NC(C)(C#N)C4CC4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC(C)(C#N)C4CC4

InChI

InChI=1S/C25H25ClN4O2S/c1-15(2)18-6-4-5-7-21(18)30-23(32)19-11-10-17(26)12-20(19)28-24(30)33-13-22(31)29-25(3,14-27)16-8-9-16/h4-7,10-12,15-16H,8-9,13H2,1-3H3,(H,29,31)