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

Systemtic Name: 4-(6-phenylsulfanylpyridin-3-yl)-4,9-diazabicyclo[4.2.1]nonane Openeye Name: 4-(6-phenylsulfanyl-3-pyridyl)-4,9-diazabicyclo[4.2.1]nonane CAS Name: 4-[6-(phenylthio)-3-pyridinyl]-4,9-diazabicyclo[4.2.1]nonane IUPAC Name: 4-(6-phenylsulfanylpyridin-3-yl)-4,9-diazabicyclo[4.2.1]nonane Traditional Name: 4-[6-(phenylthio)-3-pyridyl]-4,9-diazabicyclo[4.2.1]nonane Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3S/c1-2-4-17(5-3-1)22-18-9-8-16(12-19-18)21-11-10-14-6-7-15(13-21)20-14/h1-5,8-9,12,14-15,20H,6-7,10-11,13H2