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

Systemtic Name: N-(2-cyanoethyl)-2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[3-(2-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C19H15FN4O2S MolecularWeight: 382.411403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC#N)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C19H15FN4O2S/c20-14-7-2-4-9-16(14)24-18(26)13-6-1-3-8-15(13)23-19(24)27-12-17(25)22-11-5-10-21/h1-4,6-9H,5,11-12H2,(H,22,25)