1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C22H21N3OS MolecularWeight: 375.48664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C

InChI

InChI=1S/C22H21N3OS/c1-15-13-16(2)24-22(23-15)27-14-21(26)25-19-9-5-3-7-17(19)11-12-18-8-4-6-10-20(18)25/h3-10,13H,11-12,14H2,1-2H3