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

Systemtic Name: 6-butyl-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-butyl-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-butyl-2-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-butyl-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-butyl-2-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl]thio]nicotinonitrile Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C27H27N3OS/c1-2-3-10-23-16-15-22(19-28)27(29-23)32-18-17-26(31)30-24-11-6-4-8-20(24)13-14-21-9-5-7-12-25(21)30/h4-9,11-12,15-16H,2-3,10,13-14,17-18H2,1H3