2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 2-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl]thio]-6-methyl-nicotinonitrile Formula: C24H21N3OS MolecularWeight: 399.50804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C24H21N3OS/c1-17-10-11-20(16-25)24(26-17)29-15-14-23(28)27-21-8-4-2-6-18(21)12-13-19-7-3-5-9-22(19)27/h2-11H,12-15H2,1H3