2-[1-cyano-2-oxidanylidene-2-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]ethyl]quinazolin-4-olate

Systemtic Name: 2-[1-cyano-2-oxidanylidene-2-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]ethyl]quinazolin-4-olate Openeye Name: 2-[1-cyano-2-oxo-2-(9,10,10-trioxothioxanthen-3-yl)ethyl]quinazolin-4-olate CAS Name: 2-[1-cyano-2-oxo-2-(9,10,10-trioxo-3-thioxanthenyl)ethyl]-4-quinazolinolate IUPAC Name: 2-[1-cyano-2-oxo-2-(9,10,10-trioxothioxanthen-3-yl)ethyl]quinazolin-4-olate Traditional Name: 2-[1-cyano-2-keto-2-(9,10,10-triketothioxanthen-3-yl)ethyl]quinazolin-4-olate Formula: C24H12N3O5S- MolecularWeight: 454.43418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(C#N)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(C#N)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)[O-]

InChI

InChI=1S/C24H13N3O5S/c25-12-17(23-26-18-7-3-1-5-14(18)24(30)27-23)21(28)13-9-10-16-20(11-13)33(31,32)19-8-4-2-6-15(19)22(16)29/h1-11,17H,(H,26,27,30)/p-1