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

Systemtic Name: 8-(pyridin-2-ylmethyl)-3-(3-pyridin-3-ylthioxanthen-9-ylidene)-8-azabicyclo[3.2.1]octane Openeye Name: 8-(2-pyridylmethyl)-3-[3-(3-pyridyl)thioxanthen-9-ylidene]-8-azabicyclo[3.2.1]octane CAS Name: 8-(2-pyridinylmethyl)-3-[3-(3-pyridinyl)-9-thioxanthenylidene]-8-azabicyclo[3.2.1]octane IUPAC Name: 8-(pyridin-2-ylmethyl)-3-(3-pyridin-3-ylthioxanthen-9-ylidene)-8-azabicyclo[3.2.1]octane Traditional Name: 8-(2-pyridylmethyl)-3-[3-(3-pyridyl)thioxanthen-9-ylidene]-8-azabicyclo[3.2.1]octane Formula: C31H27N3S MolecularWeight: 473.63118

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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=CC=CC=N7

Isomeric SMILES

C1CC2CC(=C3C4=C(C=C(C=C4)C5=CN=CC=C5)SC6=CC=CC=C63)CC1N2CC7=CC=CC=N7

InChI

InChI=1S/C31H27N3S/c1-2-9-29-27(8-1)31(28-13-10-21(18-30(28)35-29)22-6-5-14-32-19-22)23-16-25-11-12-26(17-23)34(25)20-24-7-3-4-15-33-24/h1-10,13-15,18-19,25-26H,11-12,16-17,20H2