8-(1H-imidazol-2-ylmethyl)-3-(3-pyridin-3-ylthioxanthen-9-ylidene)-8-azabicyclo[3.2.1]octane

Systemtic Name: 8-(1H-imidazol-2-ylmethyl)-3-(3-pyridin-3-ylthioxanthen-9-ylidene)-8-azabicyclo[3.2.1]octane Openeye Name: 8-(1H-imidazol-2-ylmethyl)-3-[3-(3-pyridyl)thioxanthen-9-ylidene]-8-azabicyclo[3.2.1]octane CAS Name: 8-(1H-imidazol-2-ylmethyl)-3-[3-(3-pyridinyl)-9-thioxanthenylidene]-8-azabicyclo[3.2.1]octane IUPAC Name: 8-(1H-imidazol-2-ylmethyl)-3-(3-pyridin-3-ylthioxanthen-9-ylidene)-8-azabicyclo[3.2.1]octane Traditional Name: 8-(1H-imidazol-2-ylmethyl)-3-[3-(3-pyridyl)thioxanthen-9-ylidene]-8-azabicyclo[3.2.1]octane Formula: C29H26N4S MolecularWeight: 462.60854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(=C3C4=C(C=C(C=C4)C5=CN=CC=C5)SC6=CC=CC=C63)CC1N2CC7=NC=CN7

Isomeric SMILES

C1CC2CC(=C3C4=C(C=C(C=C4)C5=CN=CC=C5)SC6=CC=CC=C63)CC1N2CC7=NC=CN7

InChI

InChI=1S/C29H26N4S/c1-2-6-26-24(5-1)29(25-10-7-19(16-27(25)34-26)20-4-3-11-30-17-20)21-14-22-8-9-23(15-21)33(22)18-28-31-12-13-32-28/h1-7,10-13,16-17,22-23H,8-9,14-15,18H2,(H,31,32)