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

Systemtic Name: 2-azanyl-6-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl]sulfanyl-4-thiophen-3-yl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl]sulfanyl-4-(3-thienyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]thio]-4-(3-thiophenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl]thio]-4-(3-thienyl)dinicotinonitrile Formula: C28H21N5OS2 MolecularWeight: 507.62924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21N5OS2/c29-15-21-26(20-11-13-35-17-20)22(16-30)28(32-27(21)31)36-14-12-25(34)33-23-7-3-1-5-18(23)9-10-19-6-2-4-8-24(19)33/h1-8,11,13,17H,9-10,12,14H2,(H2,31,32)