N-(1-cyano-1-cyclopropyl-ethyl)-2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[3-(2-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H19FN4O2S MolecularWeight: 422.475263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F

InChI

InChI=1S/C22H19FN4O2S/c1-22(13-24,14-10-11-14)26-19(28)12-30-21-25-17-8-4-2-6-15(17)20(29)27(21)18-9-5-3-7-16(18)23/h2-9,14H,10-12H2,1H3,(H,26,28)