2-(4-phenylazanylquinazolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide

Systemtic Name: 2-(4-phenylazanylquinazolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-(2,2,2-trifluoroethyl)acetamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-(2,2,2-trifluoroethyl)acetamide Formula: C18H15F3N4OS MolecularWeight: 392.39811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)NCC(F)(F)F

InChI

InChI=1S/C18H15F3N4OS/c19-18(20,21)11-22-15(26)10-27-17-24-14-9-5-4-8-13(14)16(25-17)23-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,26)(H,23,24,25)