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

Systemtic Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl]thio]-6-phenyl-nicotinonitrile Formula: C29H23N3OS MolecularWeight: 461.57742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CCSC4=C(C=CC(=N4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CCSC4=C(C=CC(=N4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C29H23N3OS/c30-20-24-16-17-25(21-8-2-1-3-9-21)31-29(24)34-19-18-28(33)32-26-12-6-4-10-22(26)14-15-23-11-5-7-13-27(23)32/h1-13,16-17H,14-15,18-19H2