3-(3-pyridin-3-ylthioxanthen-9-ylidene)-8-azabicyclo[3.2.1]octane

Systemtic Name: 3-(3-pyridin-3-ylthioxanthen-9-ylidene)-8-azabicyclo[3.2.1]octane Openeye Name: 3-[3-(3-pyridyl)thioxanthen-9-ylidene]-8-azabicyclo[3.2.1]octane CAS Name: 3-[3-(3-pyridinyl)-9-thioxanthenylidene]-8-azabicyclo[3.2.1]octane IUPAC Name: 3-(3-pyridin-3-ylthioxanthen-9-ylidene)-8-azabicyclo[3.2.1]octane Traditional Name: 3-[3-(3-pyridyl)thioxanthen-9-ylidene]-8-azabicyclo[3.2.1]octane Formula: C25H22N2S MolecularWeight: 382.52058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(=C3C4=C(C=C(C=C4)C5=CN=CC=C5)SC6=CC=CC=C63)CC1N2

Isomeric SMILES

C1CC2CC(=C3C4=C(C=C(C=C4)C5=CN=CC=C5)SC6=CC=CC=C63)CC1N2

InChI

InChI=1S/C25H22N2S/c1-2-6-23-21(5-1)25(18-12-19-8-9-20(13-18)27-19)22-10-7-16(14-24(22)28-23)17-4-3-11-26-15-17/h1-7,10-11,14-15,19-20,27H,8-9,12-13H2