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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

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