4-(6-pyridin-4-ylsulfanylpyridin-3-yl)-4,9-diazabicyclo[4.2.1]nonane

Systemtic Name: 4-(6-pyridin-4-ylsulfanylpyridin-3-yl)-4,9-diazabicyclo[4.2.1]nonane Openeye Name: 4-[6-(4-pyridylsulfanyl)-3-pyridyl]-4,9-diazabicyclo[4.2.1]nonane CAS Name: 4-[6-(pyridin-4-ylthio)-3-pyridinyl]-4,9-diazabicyclo[4.2.1]nonane IUPAC Name: 4-(6-pyridin-4-ylsulfanylpyridin-3-yl)-4,9-diazabicyclo[4.2.1]nonane Traditional Name: 4-[6-(4-pyridylthio)-3-pyridyl]-4,9-diazabicyclo[4.2.1]nonane Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CCC1N2)C3=CN=C(C=C3)SC4=CC=NC=C4

Isomeric SMILES

C1CC2CN(CCC1N2)C3=CN=C(C=C3)SC4=CC=NC=C4

InChI

InChI=1S/C17H20N4S/c1-2-14-12-21(10-7-13(1)20-14)15-3-4-17(19-11-15)22-16-5-8-18-9-6-16/h3-6,8-9,11,13-14,20H,1-2,7,10,12H2