2-[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]thio]-4-quinazolinolate IUPAC Name: 2-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[(1R)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl]thio]quinazolin-4-olate Formula: C22H15FN3O2S- MolecularWeight: 404.436803

Click to see the large picture

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(=N3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=CC=C(C=C2)F)SC3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C22H16FN3O2S/c23-15-10-12-16(13-11-15)24-21(28)19(14-6-2-1-3-7-14)29-22-25-18-9-5-4-8-17(18)20(27)26-22/h1-13,19H,(H,24,28)(H,25,26,27)/p-1/t19-/m1/s1