6-pyridin-3-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-9H-thioxanthen-4-ol

Systemtic Name: 6-pyridin-3-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-9H-thioxanthen-4-ol Openeye Name: 6-(3-pyridyl)-9-[1-(2-pyridylmethyl)-4-piperidyl]-9H-thioxanthen-4-ol CAS Name: 6-(3-pyridinyl)-9-[1-(2-pyridinylmethyl)-4-piperidinyl]-9H-thioxanthen-4-ol IUPAC Name: 6-pyridin-3-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-9H-thioxanthen-4-ol Traditional Name: 6-(3-pyridyl)-9-[1-(2-pyridylmethyl)-4-piperidyl]-9H-thioxanthen-4-ol Formula: C29H27N3OS MolecularWeight: 465.60918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2C3=C(C(=CC=C3)O)SC4=C2C=CC(=C4)C5=CN=CC=C5)CC6=CC=CC=N6

Isomeric SMILES

C1CN(CCC1C2C3=C(C(=CC=C3)O)SC4=C2C=CC(=C4)C5=CN=CC=C5)CC6=CC=CC=N6

InChI

InChI=1S/C29H27N3OS/c33-26-8-3-7-25-28(20-11-15-32(16-12-20)19-23-6-1-2-14-31-23)24-10-9-21(17-27(24)34-29(25)26)22-5-4-13-30-18-22/h1-10,13-14,17-18,20,28,33H,11-12,15-16,19H2