3-[(3-bromophenyl)methyl]-N-(3-chlorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(3-bromophenyl)methyl]-N-(3-chlorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-N-(3-chlorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-N-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-N-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-N-(3-chlorophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H15BrClN3O2S MolecularWeight: 500.7954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)NC2=S

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)NC2=S

InChI

InChI=1S/C22H15BrClN3O2S/c23-15-4-1-3-13(9-15)12-27-21(29)18-8-7-14(10-19(18)26-22(27)30)20(28)25-17-6-2-5-16(24)11-17/h1-11H,12H2,(H,25,28)(H,26,30)