2-[2-oxidanylidene-2-[[4-(trifluoromethylsulfanyl)phenyl]amino]ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[[4-(trifluoromethylsulfanyl)phenyl]amino]ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-oxo-2-[4-(trifluoromethylsulfanyl)anilino]ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-oxo-2-[4-(trifluoromethylthio)anilino]ethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-oxo-2-[4-(trifluoromethylsulfanyl)anilino]ethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-keto-2-[4-(trifluoromethylthio)anilino]ethyl]thio]quinazolin-4-olate Formula: C17H11F3N3O2S2- MolecularWeight: 410.41335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)SC(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)SC(F)(F)F)[O-]

InChI

InChI=1S/C17H12F3N3O2S2/c18-17(19,20)27-11-7-5-10(6-8-11)21-14(24)9-26-16-22-13-4-2-1-3-12(13)15(25)23-16/h1-8H,9H2,(H,21,24)(H,22,23,25)/p-1