2-azanyl-6-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl]sulfanyl-4-propan-2-yl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl]sulfanyl-4-propan-2-yl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl]sulfanyl-4-isopropyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]thio]-4-propan-2-ylpyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]sulfanyl-4-propan-2-ylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl]thio]-4-isopropyl-dinicotinonitrile Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=C1C#N)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC(=C1C#N)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)N)C#N

InChI

InChI=1S/C27H25N5OS/c1-17(2)25-20(15-28)26(30)31-27(21(25)16-29)34-14-13-24(33)32-22-9-5-3-7-18(22)11-12-19-8-4-6-10-23(19)32/h3-10,17H,11-14H2,1-2H3,(H2,30,31)