N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(7-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[4-(difluoromethylthio)phenyl]-2-(7-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-2-(4-keto-7-nitro-quinazolin-3-yl)acetamide Formula: C17H12F2N4O4S MolecularWeight: 406.363386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])SC(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])SC(F)F

InChI

InChI=1S/C17H12F2N4O4S/c18-17(19)28-12-4-1-10(2-5-12)21-15(24)8-22-9-20-14-7-11(23(26)27)3-6-13(14)16(22)25/h1-7,9,17H,8H2,(H,21,24)