N-(2-cyano-1-benzofuran-3-yl)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-1-benzofuran-3-yl)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanobenzofuran-3-yl)-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyano-3-benzofuranyl)-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyano-1-benzofuran-3-yl)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanobenzofuran-3-yl)-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H17FN4O3S MolecularWeight: 484.501583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(OC5=CC=CC=C54)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(OC5=CC=CC=C54)C#N)F

InChI

InChI=1S/C26H17FN4O3S/c1-15-10-11-16(12-19(15)27)31-25(33)17-6-2-4-8-20(17)29-26(31)35-14-23(32)30-24-18-7-3-5-9-21(18)34-22(24)13-28/h2-12H,14H2,1H3,(H,30,32)