N-(2,5-dimethylphenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]acetamide Formula: C26H24FN3OS MolecularWeight: 445.551663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H24FN3OS/c1-4-18-7-12-22-21(14-18)26(30-25(29-22)19-8-10-20(27)11-9-19)32-15-24(31)28-23-13-16(2)5-6-17(23)3/h5-14H,4,15H2,1-3H3,(H,28,31)