2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]thio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]thio]-6-phenyl-1H-pyrimidin-4-one Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NC(=O)C=C(N4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NC(=O)C=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O2S/c30-24-16-21(18-8-2-1-3-9-18)27-26(28-24)32-17-25(31)29-22-12-6-4-10-19(22)14-15-20-11-5-7-13-23(20)29/h1-13,16H,14-15,17H2,(H,27,28,30)