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

Systemtic Name: N-(4-fluorophenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: N-(4-fluorophenyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: N-(4-fluorophenyl)-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]-2-phenyl-acetamide Formula: C28H21FN4O2S MolecularWeight: 496.555343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)SC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)SC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

InChI

InChI=1S/C28H21FN4O2S/c29-21-12-14-22(15-13-21)31-26(34)25(20-8-2-1-3-9-20)36-28-32-24-11-5-4-10-23(24)27(35)33(28)18-19-7-6-16-30-17-19/h1-17,25H,18H2,(H,31,34)