4-(6-pyridin-2-ylsulfanylpyridin-3-yl)-4,9-diazabicyclo[4.2.1]nonane

Systemtic Name: 4-(6-pyridin-2-ylsulfanylpyridin-3-yl)-4,9-diazabicyclo[4.2.1]nonane Openeye Name: 4-[6-(2-pyridylsulfanyl)-3-pyridyl]-4,9-diazabicyclo[4.2.1]nonane CAS Name: 4-[6-(2-pyridinylthio)-3-pyridinyl]-4,9-diazabicyclo[4.2.1]nonane IUPAC Name: 4-(6-pyridin-2-ylsulfanylpyridin-3-yl)-4,9-diazabicyclo[4.2.1]nonane Traditional Name: 4-[6-(2-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=CC=N4

Isomeric SMILES

C1CC2CN(CCC1N2)C3=CN=C(C=C3)SC4=CC=CC=N4

InChI

InChI=1S/C17H20N4S/c1-2-9-18-16(3-1)22-17-7-6-15(11-19-17)21-10-8-13-4-5-14(12-21)20-13/h1-3,6-7,9,11,13-14,20H,4-5,8,10,12H2