2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropyl-ethyl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropyl-ethyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropyl-ethyl)acetamide CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(1-cyano-1-cyclopropylethyl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropylethyl)acetamide Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-cyano-1-cyclopropyl-ethyl)acetamide Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O2S/c1-22(13-24,14-6-7-14)26-19(28)12-30-21-25-18-5-3-2-4-17(18)20(29)27(21)16-10-8-15(23)9-11-16/h2-5,8-11,14H,6-7,12H2,1H3,(H,26,28)