N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(6-fluoro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-(6-fluoro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-(6-fluoro-4-keto-quinazolin-3-yl)acetamide Formula: C20H17FN4O2S MolecularWeight: 396.437983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F)C#N

InChI

InChI=1S/C20H17FN4O2S/c21-16-5-6-18-17(9-16)20(27)25(13-24-18)11-19(26)23-7-8-28-12-15-4-2-1-3-14(15)10-22/h1-6,9,13H,7-8,11-12H2,(H,23,26)