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

Systemtic Name: 3-[(3-bromophenyl)methyl]-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H14BrClF3N3O2S MolecularWeight: 568.79337

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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(=C(C=C4)Cl)C(F)(F)F)NC2=S

Isomeric SMILES

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

InChI

InChI=1S/C23H14BrClF3N3O2S/c24-14-3-1-2-12(8-14)11-31-21(33)16-6-4-13(9-19(16)30-22(31)34)20(32)29-15-5-7-18(25)17(10-15)23(26,27)28/h1-10H,11H2,(H,29,32)(H,30,34)