N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-quinazolin-3-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide CAS Name: 2-(6-bromo-4-oxo-3-quinazolinyl)-N-[2-(difluoromethylthio)phenyl]acetamide IUPAC Name: 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide Traditional Name: 2-(6-bromo-4-keto-quinazolin-3-yl)-N-[2-(difluoromethylthio)phenyl]acetamide Formula: C17H12BrF2N3O2S MolecularWeight: 440.261886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)SC(F)F

InChI

InChI=1S/C17H12BrF2N3O2S/c18-10-5-6-12-11(7-10)16(25)23(9-21-12)8-15(24)22-13-3-1-2-4-14(13)26-17(19)20/h1-7,9,17H,8H2,(H,22,24)