N-(4-cyanophenyl)-2-[3-[2-(4-fluorophenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[3-[2-(4-fluorophenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-cyanophenyl)-2-[3-[2-(4-fluorophenyl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-cyanophenyl)-2-[[3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[3-[2-(4-fluorophenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-cyanophenyl)-2-[[3-[2-(4-fluorophenyl)ethyl]-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H19FN4O2S MolecularWeight: 458.507363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C#N)CCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C#N)CCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H19FN4O2S/c26-19-9-5-17(6-10-19)13-14-30-24(32)21-3-1-2-4-22(21)29-25(30)33-16-23(31)28-20-11-7-18(15-27)8-12-20/h1-12H,13-14,16H2,(H,28,31)