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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H19FN4O2S2 MolecularWeight: 490.572363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4SCC#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4SCC#N)F

InChI

InChI=1S/C25H19FN4O2S2/c1-16-10-11-17(14-19(16)26)30-24(32)18-6-2-3-7-20(18)29-25(30)34-15-23(31)28-21-8-4-5-9-22(21)33-13-12-27/h2-11,14H,13,15H2,1H3,(H,28,31)