2-(2-benzo[b][1]benzazepin-11-yl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-(2-benzo[b][1]benzazepin-11-yl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-(2-benzo[b][1]benzazepin-11-yl-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(11-benzo[b][1]benzazepinyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-(2-benzo[b][1]benzazepin-11-yl-2-oxoethyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(2-benzo[b][1]benzazepin-11-yl-2-keto-ethyl)thio]-4,6-dimethyl-nicotinonitrile Formula: C24H19N3OS MolecularWeight: 397.49216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42)C

InChI

InChI=1S/C24H19N3OS/c1-16-13-17(2)26-24(20(16)14-25)29-15-23(28)27-21-9-5-3-7-18(21)11-12-19-8-4-6-10-22(19)27/h3-13H,15H2,1-2H3