2-[2-(4-bromophenyl)-6-fluoranyl-quinazolin-4-yl]sulfanyl-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)ethanamide

Systemtic Name: 2-[2-(4-bromophenyl)-6-fluoranyl-quinazolin-4-yl]sulfanyl-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)ethanamide Openeye Name: 2-[2-(4-bromophenyl)-6-fluoro-quinazolin-4-yl]sulfanyl-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide CAS Name: 2-[[2-(4-bromophenyl)-6-fluoro-4-quinazolinyl]thio]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)acetamide IUPAC Name: 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide Traditional Name: 2-[[2-(4-bromophenyl)-6-fluoro-quinazolin-4-yl]thio]-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide Formula: C23H16BrFN4OS2 MolecularWeight: 527.431743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C23H16BrFN4OS2/c1-12-13(2)32-23(18(12)10-26)28-20(30)11-31-22-17-9-16(25)7-8-19(17)27-21(29-22)14-3-5-15(24)6-4-14/h3-9H,11H2,1-2H3,(H,28,30)