1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(2-pyrimidylthio)ethanone Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3OS/c24-19(14-25-20-21-12-5-13-22-20)23-17-8-3-1-6-15(17)10-11-16-7-2-4-9-18(16)23/h1-9,12-13H,10-11,14H2