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

Systemtic Name: 9-methyl-4-(6-pyridin-3-ylsulfanylpyridin-3-yl)-4,9-diazabicyclo[4.2.1]nonane Openeye Name: 9-methyl-4-[6-(3-pyridylsulfanyl)-3-pyridyl]-4,9-diazabicyclo[4.2.1]nonane CAS Name: 9-methyl-4-[6-(3-pyridinylthio)-3-pyridinyl]-4,9-diazabicyclo[4.2.1]nonane IUPAC Name: 9-methyl-4-(6-pyridin-3-ylsulfanylpyridin-3-yl)-4,9-diazabicyclo[4.2.1]nonane Traditional Name: 9-methyl-4-[6-(3-pyridylthio)-3-pyridyl]-4,9-diazabicyclo[4.2.1]nonane Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CN(CC2)C3=CN=C(C=C3)SC4=CN=CC=C4

Isomeric SMILES

CN1C2CCC1CN(CC2)C3=CN=C(C=C3)SC4=CN=CC=C4

InChI

InChI=1S/C18H22N4S/c1-21-14-4-5-16(21)13-22(10-8-14)15-6-7-18(20-11-15)23-17-3-2-9-19-12-17/h2-3,6-7,9,11-12,14,16H,4-5,8,10,13H2,1H3