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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS/c1-15-13-21(24-16(2)23-15)27-14-22(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