2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[4-(cyanomethyl)phenyl]ethanamide

Systemtic Name: 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H17BrN4O2S/c1-2-25-19(27)16-11-14(21)5-8-17(16)24-20(25)28-12-18(26)23-15-6-3-13(4-7-15)9-10-22/h3-8,11H,2,9,12H2,1H3,(H,23,26)