2-[(2R)-1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[(2R)-1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl]sulfanylquinazolin-4-olate Openeye Name: 2-[(1R)-1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]thio]-4-quinazolinolate IUPAC Name: 2-[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]sulfanylquinazolin-4-olate Traditional Name: 2-[[(1R)-2-keto-1-methyl-2-[2-(trifluoromethyl)anilino]ethyl]thio]quinazolin-4-olate Formula: C18H13F3N3O2S- MolecularWeight: 392.37493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C18H14F3N3O2S/c1-10(15(25)22-14-9-5-3-7-12(14)18(19,20)21)27-17-23-13-8-4-2-6-11(13)16(26)24-17/h2-10H,1H3,(H,22,25)(H,23,24,26)/p-1/t10-/m1/s1