N-(4-bromophenyl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide CAS Name: N-(4-bromophenyl)-2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(4-bromophenyl)acetamide Formula: C19H15BrClN3O2S MolecularWeight: 464.7633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrClN3O2S/c1-2-9-24-18(26)15-8-5-13(21)10-16(15)23-19(24)27-11-17(25)22-14-6-3-12(20)4-7-14/h2-8,10H,1,9,11H2,(H,22,25)