2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]thio]quinazolin-4-olate Formula: C24H18N3O2S- MolecularWeight: 412.48362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NC5=CC=CC=C5C(=N4)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NC5=CC=CC=C5C(=N4)[O-]

InChI

InChI=1S/C24H19N3O2S/c28-22(15-30-24-25-19-10-4-3-9-18(19)23(29)26-24)27-20-11-5-1-7-16(20)13-14-17-8-2-6-12-21(17)27/h1-12H,13-15H2,(H,25,26,29)/p-1