N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C23H17FN4OS2 MolecularWeight: 448.535683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)SCC(=O)N(CCC#N)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)SCC(=O)N(CCC#N)C4=CC=CC=C4F

InChI

InChI=1S/C23H17FN4OS2/c24-17-8-2-4-10-19(17)28(13-6-12-25)21(29)15-31-23-16-7-1-3-9-18(16)26-22(27-23)20-11-5-14-30-20/h1-5,7-11,14H,6,13,15H2