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

Systemtic Name: 2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)ethanamide Openeye Name: 2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide CAS Name: 2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)acetamide IUPAC Name: 2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide Traditional Name: 2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-cyanoethyl)acetamide Formula: C19H15ClN4O2S MolecularWeight: 398.866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O2S/c20-13-5-3-6-14(11-13)24-18(26)15-7-1-2-8-16(15)23-19(24)27-12-17(25)22-10-4-9-21/h1-3,5-8,11H,4,10,12H2,(H,22,25)