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

Systemtic Name: 8-(furan-3-ylmethyl)-3-(3-pyridin-3-ylthioxanthen-9-ylidene)-8-azabicyclo[3.2.1]octane Openeye Name: 8-(3-furylmethyl)-3-[3-(3-pyridyl)thioxanthen-9-ylidene]-8-azabicyclo[3.2.1]octane CAS Name: 8-(3-furanylmethyl)-3-[3-(3-pyridinyl)-9-thioxanthenylidene]-8-azabicyclo[3.2.1]octane IUPAC Name: 8-(furan-3-ylmethyl)-3-(3-pyridin-3-ylthioxanthen-9-ylidene)-8-azabicyclo[3.2.1]octane Traditional Name: 8-(3-furfuryl)-3-[3-(3-pyridyl)thioxanthen-9-ylidene]-8-azabicyclo[3.2.1]octane Formula: C30H26N2OS MolecularWeight: 462.60524

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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=COC=C7

Isomeric SMILES

C1CC2CC(=C3C4=C(C=C(C=C4)C5=CN=CC=C5)SC6=CC=CC=C63)CC1N2CC7=COC=C7

InChI

InChI=1S/C30H26N2OS/c1-2-6-28-26(5-1)30(27-10-7-21(16-29(27)34-28)22-4-3-12-31-17-22)23-14-24-8-9-25(15-23)32(24)18-20-11-13-33-19-20/h1-7,10-13,16-17,19,24-25H,8-9,14-15,18H2